6-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 338489
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NC1Cc2c([nH]nc2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NC1CCc2c(C1)cn[nH]2
• InChI: InChI=1S/C16H17N5O/c1-10-2-5-15-19-14(9-21(15)8-10)16(22)18-12-3-4-13-11(6-12)7-17-20-13/h2,5,7-9,12H,3-4,6H2,1H3,(H,17,20)(H,18,22)
• InChIKey: NTGFNFKSUISFGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.304411
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3495955
• LogD (pH = 7.4): 1.3586563
• Log P: 1.3587737
• Molar Refractivity: 85.248 cm^3
• Polarizability: 30.938168 Å^3
• Polar Surface Area: 75.08 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: 1.79
• LOG S: -2.88
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 2