N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 700737
• Molecular Formular: C15H16N4OS
• Molecular Mass: 300.37874
• Monoisotopic Mass: 300.10448215
• SMILES: n12c(C(=O)NCCCc3c(ncs3)C)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCCCc1scnc1C
• InChI: InChI=1S/C15H16N4OS/c1-11-14(21-10-17-11)6-3-8-16-15(20)13-5-2-4-12-7-9-18-19(12)13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,16,20)
• InChIKey: MNSUNNLXHLVMOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.690607
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8774146
• LogD (pH = 7.4): 1.877801
• Log P: 1.8778058
• Molar Refractivity: 93.5371 cm^3
• Polarizability: 31.446709 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.62
• LOG S: -2.77
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5