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

• ChemBase ID: 759128
• Molecular Formular: C25H26F2N4O2
• Molecular Mass: 452.4963464
• Monoisotopic Mass: 452.20238253
• SMILES: c12c(nn(c1CCN(C2)Cc1c(F)cccc1F)Cc1cc(OC)ccc1)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)Cn1nc(c2c1CCN(C2)Cc1c(F)cccc1F)C(=O)NC1CC1
• InChI: InChI=1S/C25H26F2N4O2/c1-33-18-5-2-4-16(12-18)13-31-23-10-11-30(14-19-21(26)6-3-7-22(19)27)15-20(23)24(29-31)25(32)28-17-8-9-17/h2-7,12,17H,8-11,13-15H2,1H3,(H,28,32)
• InChIKey: QVWBXLTVMOYFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[(2,6-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[(2,6-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-5-(2,6-difluorobenzyl)-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: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1577845
• LogD (pH = 7.4): 3.5673277
• Log P: 3.5761008
• Molar Refractivity: 133.7371 cm^3
• Polarizability: 45.679684 Å^3
• Polar Surface Area: 59.39 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: 3.53
• LOG S: -5.78
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6