3-(1-{5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidin-2-yl)pyridine

• ChemBase ID: 349832
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N1C(c2cnccc2)CCCC1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C18H23N5O/c1-22-10-7-15-14(12-22)17(21-20-15)18(24)23-9-3-2-6-16(23)13-5-4-8-19-11-13/h4-5,8,11,16H,2-3,6-7,9-10,12H2,1H3,(H,20,21)
• InChIKey: ABYCGLKWJZGUAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidin-2-yl)pyridine
• IUPAC Traditional name: 3-(1-{5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidin-2-yl)pyridine
• Synonyms: 5-methyl-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.863836
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.592889
• LogD (pH = 7.4): 0.8822671
• Log P: 1.0507914
• Molar Refractivity: 94.3533 cm^3
• Polarizability: 35.232777 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.74
• LOG S: -0.95
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 2