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

• ChemBase ID: 769914
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(c2c(n[nH]1)CCC(C2)C)C(=O)N(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: CC1CCc2c(C1)c([nH]n2)C(=O)N(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C18H21N5O/c1-12-6-7-15-14(9-12)17(21-20-15)18(24)22(2)11-13-10-19-16-5-3-4-8-23(13)16/h3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,20,21)
• InChIKey: TUPNGPLRUPJTAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.252666
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90056497
• LogD (pH = 7.4): 1.5137365
• Log P: 1.5393904
• Molar Refractivity: 94.4702 cm^3
• Polarizability: 34.534805 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.23
• LOG S: -4.37
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3