AB53164
1211441-98-3 | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AB53164
ChemicalName
7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CasNumber
1211441-98-3
MolecularFormula
C23H30N8O
MolecularWeight
434.5373
MdlNumber
MFCD27976795
Smiles
CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C
Complexity
636
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AB53164
ChemicalName: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CasNumber: 1211441-98-3
MolecularFormula: C23H30N8O
MolecularWeight: 434.5373
MdlNumber: MFCD27976795
Smiles: CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C
Complexity: 636
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AB53164
ChemicalName:
7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CasNumber:
1211441-98-3
MolecularFormula:
C23H30N8O
MolecularWeight:
434.5373
MdlNumber:
MFCD27976795
Smiles:
CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C
Complexity:
636
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53166
ChemicalName: 1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
CasNumber: 23787-90-8
MolecularFormula: C15H24O
MolecularWeight: 220.3505
MdlNumber: MFCD26940170
Smiles: O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
AB53166
ChemicalName:
1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
CasNumber:
23787-90-8
MolecularFormula:
C15H24O
MolecularWeight:
220.3505
MdlNumber:
MFCD26940170
Smiles:
O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21)C(=O)C
Complexity: 984
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21)C(=O)C
Complexity:
984
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5