N-[6-(propan-2-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]oxolane-3-carboxamide

• ChemBase ID: 784409
• Molecular Formular: C17H20F3N3O3
• Molecular Mass: 371.3542096
• Monoisotopic Mass: 371.14567618
• SMILES: n1(nc(c2c1cc(OC(C)C)cc2)NC(=O)C1COCC1)CC(F)(F)F
• Canonical SMILES: CC(Oc1ccc2c(c1)n(nc2NC(=O)C1COCC1)CC(F)(F)F)C
• InChI: InChI=1S/C17H20F3N3O3/c1-10(2)26-12-3-4-13-14(7-12)23(9-17(18,19)20)22-15(13)21-16(24)11-5-6-25-8-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,21,22,24)
• InChIKey: MYTZGBKRVNXIPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[6-(propan-2-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]oxolane-3-carboxamide
• IUPAC Traditional name: N-[6-isopropoxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]oxolane-3-carboxamide
• Synonyms: N-[6-isopropoxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.339517
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.955302
• LogD (pH = 7.4): 2.9552567
• Log P: 2.9553041
• Molar Refractivity: 101.542 cm^3
• Polarizability: 34.10991 Å^3
• Polar Surface Area: 65.38 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: 3.02
• LOG S: -4.49
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6