5-(3-cyclohexyl-1H-pyrazole-4-carbonyl)-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 557327
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c1(c2CN(C(=O)c3c(n[nH]c3)C3CCCCC3)CCc2[nH]n1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CN(CC2)C(=O)c1c[nH]nc1C1CCCCC1)C
• InChI: InChI=1S/C19H26N6O2/c1-24(2)19(27)17-14-11-25(9-8-15(14)21-23-17)18(26)13-10-20-22-16(13)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: LKUIETFGUJPRIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-cyclohexyl-1H-pyrazole-4-carbonyl)-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(3-cyclohexyl-1H-pyrazole-4-carbonyl)-N,N-dimethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(3-cyclohexyl-1H-pyrazol-4-yl)carbonyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.260183
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2638646
• LogD (pH = 7.4): 1.2633958
• Log P: 1.2639827
• Molar Refractivity: 104.5082 cm^3
• Polarizability: 37.986908 Å^3
• Polar Surface Area: 97.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.52
• LOG S: -2.77
• Polar Surface Area: 97.98 Å^2
• Rotatable Bonds: 3