N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 543500
• Molecular Formular: C25H27N5O3
• Molecular Mass: 445.51358
• Monoisotopic Mass: 445.21138975
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ncccc1)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(=O)c1ccccn1)C(=O)NC1CC1
• InChI: InChI=1S/C25H27N5O3/c1-33-19-9-5-17(6-10-19)11-15-30-22-12-14-29(25(32)21-4-2-3-13-26-21)16-20(22)23(28-30)24(31)27-18-7-8-18/h2-6,9-10,13,18H,7-8,11-12,14-16H2,1H3,(H,27,31)
• InChIKey: SPNIECODINPSCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(pyridine-2-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(2-pyridinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105425
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1041157
• LogD (pH = 7.4): 2.1041315
• Log P: 2.1041317
• Molar Refractivity: 135.8595 cm^3
• Polarizability: 46.755985 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.52
• LOG S: -6.45
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6