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

• ChemBase ID: 676909
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c12c(nn(c1CCN(C2)C(C)C)Cc1cc(OC)ccc1)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)Cn1nc(c2c1CCN(C2)C(C)C)C(=O)NC1CC1
• InChI: InChI=1S/C21H28N4O2/c1-14(2)24-10-9-19-18(13-24)20(21(26)22-16-7-8-16)23-25(19)12-15-5-4-6-17(11-15)27-3/h4-6,11,14,16H,7-10,12-13H2,1-3H3,(H,22,26)
• InChIKey: ZPOJOPIGIRANQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-isopropyl-1-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-5-isopropyl-1-(3-methoxybenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213342
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26983953
• LogD (pH = 7.4): 1.9380589
• Log P: 2.3396068
• Molar Refractivity: 117.8591 cm^3
• Polarizability: 40.4098 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.31
• LOG S: -4.34
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 4