AA54663
1218942-37-0 | 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
Manufacturer: A2B Chem
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CatalogNumber
AA54663
ChemicalName
2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CasNumber
1218942-37-0
MolecularFormula
C21H19ClN4O2
MolecularWeight
394.8542
MdlNumber
MFCD27923122
Smiles
Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C
Complexity
732
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA54663
ChemicalName: 2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CasNumber: 1218942-37-0
MolecularFormula: C21H19ClN4O2
MolecularWeight: 394.8542
MdlNumber: MFCD27923122
Smiles: Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C
Complexity: 732
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA54663
ChemicalName:
2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CasNumber:
1218942-37-0
MolecularFormula:
C21H19ClN4O2
MolecularWeight:
394.8542
MdlNumber:
MFCD27923122
Smiles:
Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C
Complexity:
732
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1nn(c(c1)Cl)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=Cc1nn(c(c1)Cl)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA54665
ChemicalName: (R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride
CasNumber: 1218935-60-4
MolecularFormula: C20H24Cl2F4N2
MolecularWeight: 439.3176
MdlNumber: MFCD20427400
Smiles: Fc1ccc(c(c1)[C@H]1CCCN1)F.Fc1ccc(c(c1)[C@H]1CCCN1)F.Cl.Cl
Complexity: 174
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA54665
ChemicalName:
(R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride
CasNumber:
1218935-60-4
MolecularFormula:
C20H24Cl2F4N2
MolecularWeight:
439.3176
MdlNumber:
MFCD20427400
Smiles:
Fc1ccc(c(c1)[C@H]1CCCN1)F.Fc1ccc(c(c1)[C@H]1CCCN1)F.Cl.Cl
Complexity:
174
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AA54666
ChemicalName: (2R)-2-(2,5-Difluorophenyl)pyrrolidine
CasNumber: 1218935-59-1
MolecularFormula: C10H11F2N
MolecularWeight: 183.1978
MdlNumber: MFCD07772701
Smiles: Fc1ccc(c(c1)[C@H]1CCCN1)F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA54666
ChemicalName:
(2R)-2-(2,5-Difluorophenyl)pyrrolidine
CasNumber:
1218935-59-1
MolecularFormula:
C10H11F2N
MolecularWeight:
183.1978
MdlNumber:
MFCD07772701
Smiles:
Fc1ccc(c(c1)[C@H]1CCCN1)F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2