N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

• ChemBase ID: 830291
• Molecular Formular: C16H21N5O
• Molecular Mass: 299.37084
• Monoisotopic Mass: 299.17461032
• SMILES: c1(c2c(n[nH]1)CCC(C2)C)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: CC1CCc2c(C1)c([nH]n2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H21N5O/c1-10-5-6-12-11(8-10)15(20-19-12)16(22)18-14-9-17-13-4-2-3-7-21(13)14/h9-10H,2-8H2,1H3,(H,18,22)(H,19,20)
• InChIKey: QRVJOXABCRNIHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
• Synonyms: 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.988374
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2349089
• LogD (pH = 7.4): 1.862952
• Log P: 1.8916384
• Molar Refractivity: 85.8052 cm^3
• Polarizability: 31.390724 Å^3
• Polar Surface Area: 75.6 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: 2.61
• LOG S: -3.61
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 2