2-{3-cyclobutyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-N-cyclopropylpyridine-3-carboxamide

• ChemBase ID: 454626
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c12c(n[nH]c2CCN(c2c(C(=O)NC3CC3)cccn2)C1)C1CCC1
• Canonical SMILES: O=C(c1cccnc1N1CCc2c(C1)c(n[nH]2)C1CCC1)NC1CC1
• InChI: InChI=1S/C19H23N5O/c25-19(21-13-6-7-13)14-5-2-9-20-18(14)24-10-8-16-15(11-24)17(23-22-16)12-3-1-4-12/h2,5,9,12-13H,1,3-4,6-8,10-11H2,(H,21,25)(H,22,23)
• InChIKey: XCFWPNMGYRAWPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.155232
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9805127
• LogD (pH = 7.4): 2.111563
• Log P: 2.1135361
• Molar Refractivity: 98.0187 cm^3
• Polarizability: 35.881615 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.37
• LOG S: -3.69
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4