N-{[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl}-1H-indazole-3-carboxamide

• ChemBase ID: 538117
• Molecular Formular: C20H23N5O3
• Molecular Mass: 381.42832
• Monoisotopic Mass: 381.18008962
• SMILES: c1(C(=O)N2CC(CNC(=O)c3n[nH]c4c3cccc4)CCC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N1CCCC(C1)CNC(=O)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C20H23N5O3/c1-2-16-18(22-12-28-16)20(27)25-9-5-6-13(11-25)10-21-19(26)17-14-7-3-4-8-15(14)23-24-17/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,21,26)(H,23,24)
• InChIKey: DJZATCYBGFJTIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl}-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-{[1-(5-ethyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl}-1H-indazole-3-carboxamide
• Synonyms: N-({1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]piperidin-3-yl}methyl)-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.228328
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4162527
• LogD (pH = 7.4): 1.4100888
• Log P: 1.4163321
• Molar Refractivity: 104.7993 cm^3
• Polarizability: 39.847248 Å^3
• Polar Surface Area: 104.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.1
• LOG S: -3.38
• Polar Surface Area: 104.12 Å^2
• Rotatable Bonds: 5