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

• ChemBase ID: 470774
• Molecular Formular: C25H30N4O3
• Molecular Mass: 434.5307
• Monoisotopic Mass: 434.23179084
• SMILES: c12c(nn(c1CCN(C2)Cc1oc(cc1)C)CCc1ccc(cc1)OC)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)CCn1nc(c2c1CCN(C2)Cc1ccc(o1)C)C(=O)NC1CC1
• InChI: InChI=1S/C25H30N4O3/c1-17-3-8-21(32-17)15-28-13-12-23-22(16-28)24(25(30)26-19-6-7-19)27-29(23)14-11-18-4-9-20(31-2)10-5-18/h3-5,8-10,19H,6-7,11-16H2,1-2H3,(H,26,30)
• InChIKey: ZNKQIKUTRCVUDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.221128
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4953907
• LogD (pH = 7.4): 2.736393
• Log P: 2.8391662
• Molar Refractivity: 135.5999 cm^3
• Polarizability: 46.71963 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.24
• LOG S: -5.76
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 7