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

• ChemBase ID: 320270
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: c1(C(=O)N[C@@H]2c3c(C[C@@H]2O)cccc3)c2n(nc1)CCCC2
• Canonical SMILES: O[C@H]1Cc2c([C@H]1NC(=O)c1cnn3c1CCCC3)cccc2
• InChI: InChI=1S/C17H19N3O2/c21-15-9-11-5-1-2-6-12(11)16(15)19-17(22)13-10-18-20-8-4-3-7-14(13)20/h1-2,5-6,10,15-16,21H,3-4,7-9H2,(H,19,22)/t15-,16+/m0/s1
• InChIKey: AMQFALBGDRNSAO-JKSUJKDBSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.655235
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3622972
• LogD (pH = 7.4): 1.3623347
• Log P: 1.3623354
• Molar Refractivity: 95.0345 cm^3
• Polarizability: 31.465155 Å^3
• Polar Surface Area: 67.15 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: 1.33
• LOG S: -2.5
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2