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

• ChemBase ID: 761213
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N1CCC(c2ncc(cc2)C)(CC1)O
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)(O)c1ccc(cn1)C
• InChI: InChI=1S/C19H25N5O2/c1-13-3-4-16(20-11-13)19(26)6-9-24(10-7-19)18(25)17-14-12-23(2)8-5-15(14)21-22-17/h3-4,11,26H,5-10,12H2,1-2H3,(H,21,22)
• InChIKey: NOSFGAUBHZFBNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.906062
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4120954
• LogD (pH = 7.4): 0.11253185
• Log P: 0.2817582
• Molar Refractivity: 100.8242 cm^3
• Polarizability: 37.630318 Å^3
• Polar Surface Area: 85.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.51
• LOG S: -1.81
• Polar Surface Area: 85.35 Å^2
• Rotatable Bonds: 2