3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{pyrazolo[1,5-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 521884
• Molecular Formular: C23H23N5O
• Molecular Mass: 385.46162
• Monoisotopic Mass: 385.19026038
• SMILES: c1(nn2c(c1)cccc2)C(=O)N1CC(c2c(c3ccc(cc3)C)cn[nH]2)CCC1
• Canonical SMILES: Cc1ccc(cc1)c1cn[nH]c1C1CCCN(C1)C(=O)c1cc2n(n1)cccc2
• InChI: InChI=1S/C23H23N5O/c1-16-7-9-17(10-8-16)20-14-24-25-22(20)18-5-4-11-27(15-18)23(29)21-13-19-6-2-3-12-28(19)26-21/h2-3,6-10,12-14,18H,4-5,11,15H2,1H3,(H,24,25)
• InChIKey: QKODFRWXDHWBLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{pyrazolo[1,5-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-[4-(4-methylphenyl)-2H-pyrazol-3-yl]-1-{pyrazolo[1,5-a]pyridine-2-carbonyl}piperidine
• Synonyms: 2-({3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl}carbonyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.406328
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8065825
• LogD (pH = 7.4): 3.806649
• Log P: 3.80665
• Molar Refractivity: 124.9838 cm^3
• Polarizability: 44.409023 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.97
• LOG S: -4.55
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3