N-cyclopropyl-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 785879
• Molecular Formular: C24H30N6O2
• Molecular Mass: 434.534
• Monoisotopic Mass: 434.24302423
• SMILES: c12c(nn(c1CCN(C2)Cc1c(nn(c1)C)C)Cc1cc(OC)ccc1)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)Cn1nc(c2c1CCN(C2)Cc1cn(nc1C)C)C(=O)NC1CC1
• InChI: InChI=1S/C24H30N6O2/c1-16-18(13-28(2)26-16)14-29-10-9-22-21(15-29)23(24(31)25-19-7-8-19)27-30(22)12-17-5-4-6-20(11-17)32-3/h4-6,11,13,19H,7-10,12,14-15H2,1-3H3,(H,25,31)
• InChIKey: ARGXONAPRIGBPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213328
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6007682
• LogD (pH = 7.4): 1.7664651
• Log P: 1.8499272
• Molar Refractivity: 146.7992 cm^3
• Polarizability: 46.655914 Å^3
• Polar Surface Area: 77.21 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.57
• LOG S: -5.36
• Polar Surface Area: 77.21 Å^2
• Rotatable Bonds: 6