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

• ChemBase ID: 772580
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: c12c(nn(c1CCN(C2)C(C)C)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)C(C)C)C(=O)NC1CC1
• InChI: InChI=1S/C22H30N4O2/c1-15(2)25-12-11-20-19(14-25)21(22(27)23-17-6-7-17)24-26(20)13-10-16-4-8-18(28-3)9-5-16/h4-5,8-9,15,17H,6-7,10-14H2,1-3H3,(H,23,27)
• InChIKey: KOSVGMZFGJFCLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.221153
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.56104976
• LogD (pH = 7.4): 2.2283273
• Log P: 2.628268
• Molar Refractivity: 122.6141 cm^3
• Polarizability: 42.17419 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: 2.64
• LOG S: -4.85
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5