5-{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}-1H,5H,6H,7H,8H-pyrido[3,2-f]indazol-7-one

• ChemBase ID: 824586
• Molecular Formular: C15H10ClN5OS
• Molecular Mass: 343.7908
• Monoisotopic Mass: 343.02945865
• SMILES: n1c2n(c(c1Cl)C1c3c(NC(=O)C1)cc1c(c3)cn[nH]1)ccs2
• Canonical SMILES: O=C1Nc2cc3[nH]ncc3cc2C(C1)c1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C15H10ClN5OS/c16-14-13(21-1-2-23-15(21)19-14)9-4-12(22)18-11-5-10-7(3-8(9)11)6-17-20-10/h1-3,5-6,9H,4H2,(H,17,20)(H,18,22)
• InChIKey: GOXMYMAYUFMNRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}-1H,5H,6H,7H,8H-pyrido[3,2-f]indazol-7-one
• IUPAC Traditional name: 5-{6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}-1H,5H,6H,8H-pyrido[3,2-f]indazol-7-one
• Synonyms: 5-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,5,6,8-tetrahydro-7H-pyrazolo[4,3-g]quinolin-7-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.998323
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7466843
• LogD (pH = 7.4): 1.7467661
• Log P: 1.746778
• Molar Refractivity: 102.1196 cm^3
• Polarizability: 33.850784 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.48
• LOG S: -4.93
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 1