3-(2-ethyl-1H-imidazol-1-yl)-N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]propanamide

• ChemBase ID: 682954
• Molecular Formular: C20H26N6O2
• Molecular Mass: 382.45944
• Monoisotopic Mass: 382.2117241
• SMILES: c1(c2c(n(n1)C)cccc2N1CCOCC1)NC(=O)CCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCC(=O)Nc1nn(c2c1c(ccc2)N1CCOCC1)C
• InChI: InChI=1S/C20H26N6O2/c1-3-17-21-8-10-26(17)9-7-18(27)22-20-19-15(24(2)23-20)5-4-6-16(19)25-11-13-28-14-12-25/h4-6,8,10H,3,7,9,11-14H2,1-2H3,(H,22,23,27)
• InChIKey: HLFOGSLXBTYULJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethyl-1H-imidazol-1-yl)-N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]propanamide
• IUPAC Traditional name: 3-(2-ethylimidazol-1-yl)-N-[1-methyl-4-(morpholin-4-yl)indazol-3-yl]propanamide
• Synonyms: 3-(2-ethyl-1H-imidazol-1-yl)-N-(1-methyl-4-morpholin-4-yl-1H-indazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.348511
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9881211
• LogD (pH = 7.4): 1.7851028
• Log P: 1.9820893
• Molar Refractivity: 121.0861 cm^3
• Polarizability: 41.60304 Å^3
• Polar Surface Area: 77.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.1
• LOG S: -2.93
• Polar Surface Area: 77.21 Å^2
• Rotatable Bonds: 6