AB52885
955365-80-7 | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AB52885
ChemicalName
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
CasNumber
955365-80-7
MolecularFormula
C27H32N8O2
MolecularWeight
500.5954
MdlNumber
MFCD17215200
Smiles
C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
Complexity
795
Covalently-bondedUnitCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
3.1
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CatalogNumber: AB52885
ChemicalName: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
CasNumber: 955365-80-7
MolecularFormula: C27H32N8O2
MolecularWeight: 500.5954
MdlNumber: MFCD17215200
Smiles: C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
Complexity: 795
Covalently-bondedUnitCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 3.1
CatalogNumber:
AB52885
ChemicalName:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
CasNumber:
955365-80-7
MolecularFormula:
C27H32N8O2
MolecularWeight:
500.5954
MdlNumber:
MFCD17215200
Smiles:
C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
Complexity:
795
Covalently-bondedUnitCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1Br)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1Br)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AB52887
ChemicalName: Cis-tert-butyl n-(3-aminocyclobutyl)carbamate
CasNumber: 1212395-34-0
MolecularFormula: C9H18N2O2
MolecularWeight: 186.2514
MdlNumber: MFCD11099896
Smiles: N[C@@H]1C[C@@H](C1)NC(=O)OC(C)(C)C
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB52887
ChemicalName:
Cis-tert-butyl n-(3-aminocyclobutyl)carbamate
CasNumber:
1212395-34-0
MolecularFormula:
C9H18N2O2
MolecularWeight:
186.2514
MdlNumber:
MFCD11099896
Smiles:
N[C@@H]1C[C@@H](C1)NC(=O)OC(C)(C)C
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: AB52888
ChemicalName: 1-(2-Bromoethyl)piperidine hydrobromide
CasNumber: 89796-22-5
MolecularFormula: C7H15Br2N
MolecularWeight: 273.0087
MdlNumber: MFCD00463352
Smiles: BrCCN1CCCCC1.Br
Complexity: 69.3
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB52888
ChemicalName:
1-(2-Bromoethyl)piperidine hydrobromide
CasNumber:
89796-22-5
MolecularFormula:
C7H15Br2N
MolecularWeight:
273.0087
MdlNumber:
MFCD00463352
Smiles:
BrCCN1CCCCC1.Br
Complexity:
69.3
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
__