N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 778133
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N[C@H]1c2c(CC1)cccc2
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N[C@@H]1CCc2c1cccc2
• InChI: InChI=1S/C17H20N4O/c1-21-9-8-15-13(10-21)16(20-19-15)17(22)18-14-7-6-11-4-2-3-5-12(11)14/h2-5,14H,6-10H2,1H3,(H,18,22)(H,19,20)/t14-/m1/s1
• InChIKey: OUZSRCPVOUOKBQ-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.991877
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.03127054
• LogD (pH = 7.4): 1.4801725
• Log P: 1.5856135
• Molar Refractivity: 87.3821 cm^3
• Polarizability: 32.442806 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.51
• LOG S: -1.8
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 2