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

• ChemBase ID: 770174
• Molecular Formular: C25H27N5O3
• Molecular Mass: 445.51358
• Monoisotopic Mass: 445.21138975
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccncc1)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(=O)c1ccncc1)C(=O)NC1CC1
• InChI: InChI=1S/C25H27N5O3/c1-33-20-6-2-17(3-7-20)10-15-30-22-11-14-29(25(32)18-8-12-26-13-9-18)16-21(22)23(28-30)24(31)27-19-4-5-19/h2-3,6-9,12-13,19H,4-5,10-11,14-16H2,1H3,(H,27,31)
• InChIKey: KZCOBCYAHJHKDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105432
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7154752
• LogD (pH = 7.4): 1.7182459
• Log P: 1.7182814
• Molar Refractivity: 136.2315 cm^3
• Polarizability: 46.750477 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: -5.97
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6