N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 677478
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1cc2c(c([nH]c2cc1)C)C
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCc1ccc2c(c1)c(C)c([nH]2)C
• InChI: InChI=1S/C19H22N4O/c1-12-13(2)22-17-7-6-14(9-15(12)17)10-20-19(24)16-11-21-23-8-4-3-5-18(16)23/h6-7,9,11,22H,3-5,8,10H2,1-2H3,(H,20,24)
• InChIKey: QHBKIKAZJYWCRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.675687
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7047212
• LogD (pH = 7.4): 2.704759
• Log P: 2.7047596
• Molar Refractivity: 107.3696 cm^3
• Polarizability: 36.616554 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.22
• LOG S: -4.3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3