1-benzyl-N,N-dimethyl-5-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 627365
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)Cc1ccncc1)C(=O)N(C)C
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccncc1)Cc1ccccc1)N(C)C
• InChI: InChI=1S/C22H25N5O/c1-25(2)22(28)21-19-16-26(14-18-8-11-23-12-9-18)13-10-20(19)27(24-21)15-17-6-4-3-5-7-17/h3-9,11-12H,10,13-16H2,1-2H3
• InChIKey: XUJLJYGNGFDXCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N,N-dimethyl-5-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-benzyl-N,N-dimethyl-5-(pyridin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-benzyl-N,N-dimethyl-5-(4-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.76622164
• LogD (pH = 7.4): 1.9105419
• Log P: 1.9888073
• Molar Refractivity: 122.3697 cm^3
• Polarizability: 41.788532 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.16
• LOG S: -2.95
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 5