N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide

• ChemBase ID: 368842
• Molecular Formular: C17H20N6O2S
• Molecular Mass: 372.4447
• Monoisotopic Mass: 372.13684491
• SMILES: c1(c2c(n(n1)C)cccc2N1CCOCC1)NC(=O)c1nc(sc1)NC
• Canonical SMILES: CNc1scc(n1)C(=O)Nc1nn(c2c1c(ccc2)N1CCOCC1)C
• InChI: InChI=1S/C17H20N6O2S/c1-18-17-19-11(10-26-17)16(24)20-15-14-12(22(2)21-15)4-3-5-13(14)23-6-8-25-9-7-23/h3-5,10H,6-9H2,1-2H3,(H,18,19)(H,20,21,24)
• InChIKey: ZBENZQCRGBRJMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-[1-methyl-4-(morpholin-4-yl)indazol-3-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
• Synonyms: 2-(methylamino)-N-(1-methyl-4-morpholin-4-yl-1H-indazol-3-yl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.727479
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.1975198
• LogD (pH = 7.4): 2.1973464
• Log P: 2.1975408
• Molar Refractivity: 115.1427 cm^3
• Polarizability: 38.271442 Å^3
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.5
• LOG S: -2.34
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 4