2-{3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}pyrrolidine-1-carboxamide

• ChemBase ID: 400947
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c12c(n[nH]c2CCN(C(=O)C2N(C(=O)N)CCC2)C1)C1CCC1
• Canonical SMILES: O=C(C1CCCN1C(=O)N)N1CCc2c(C1)c(n[nH]2)C1CCC1
• InChI: InChI=1S/C16H23N5O2/c17-16(23)21-7-2-5-13(21)15(22)20-8-6-12-11(9-20)14(19-18-12)10-3-1-4-10/h10,13H,1-9H2,(H2,17,23)(H,18,19)
• InChIKey: NORXEGMWXISFTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.323304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.0651864
• LogD (pH = 7.4): -0.0647603
• Log P: -0.06475482
• Molar Refractivity: 86.1117 cm^3
• Polarizability: 32.410526 Å^3
• Polar Surface Area: 95.32 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: -0.62
• LOG S: -2.29
• Polar Surface Area: 95.32 Å^2
• Rotatable Bonds: 2