5-[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-methyl-1,3-thiazol-2-amine

• ChemBase ID: 775259
• Molecular Formular: C17H16FN5OS
• Molecular Mass: 357.4052432
• Monoisotopic Mass: 357.10595938
• SMILES: c1(C(=O)N2Cc3c(n[nH]c3CC2)c2c(F)cccc2)c(nc(s1)N)C
• Canonical SMILES: Nc1nc(c(s1)C(=O)N1CCc2c(C1)c(n[nH]2)c1ccccc1F)C
• InChI: InChI=1S/C17H16FN5OS/c1-9-15(25-17(19)20-9)16(24)23-7-6-13-11(8-23)14(22-21-13)10-4-2-3-5-12(10)18/h2-5H,6-8H2,1H3,(H2,19,20)(H,21,22)
• InChIKey: UJQQXTORQKKMDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-4-methyl-1,3-thiazol-2-amine
• Synonyms: 5-{[3-(2-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}-4-methyl-1,3-thiazol-2-ami

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.333953
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9824313
• LogD (pH = 7.4): 1.9847573
• Log P: 1.9847876
• Molar Refractivity: 95.2656 cm^3
• Polarizability: 35.68834 Å^3
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.46
• LOG S: -3.9
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 2