1-(cyclopropylmethyl)-5-[4-(piperidin-1-yl)benzoyl]-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 360314
• Molecular Formular: C29H34N6O2
• Molecular Mass: 498.61926
• Monoisotopic Mass: 498.27432436
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccc(N2CCCCC2)cc1)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)c1ccc(cc1)N1CCCCC1)CC1CC1)NCc1ccccn1
• InChI: InChI=1S/C29H34N6O2/c36-28(31-18-23-6-2-3-14-30-23)27-25-20-34(17-13-26(25)35(32-27)19-21-7-8-21)29(37)22-9-11-24(12-10-22)33-15-4-1-5-16-33/h2-3,6,9-12,14,21H,1,4-5,7-8,13,15-20H2,(H,31,36)
• InChIKey: CDHSTJHZLYJDCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-[4-(piperidin-1-yl)benzoyl]-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-[4-(piperidin-1-yl)benzoyl]-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-[4-(1-piperidinyl)benzoyl]-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839122
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.909556
• LogD (pH = 7.4): 2.941767
• Log P: 2.942186
• Molar Refractivity: 155.7925 cm^3
• Polarizability: 53.90901 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.36
• LOG S: -7.9
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 7