N-[3-(2-amino-1,3-thiazol-4-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 608680
• Molecular Formular: C14H15N5OS
• Molecular Mass: 301.3668
• Monoisotopic Mass: 301.09973113
• SMILES: n12c(C(=O)NCCCc3nc(sc3)N)cccc1ccn2
• Canonical SMILES: Nc1scc(n1)CCCNC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C14H15N5OS/c15-14-18-10(9-21-14)3-2-7-16-13(20)12-5-1-4-11-6-8-17-19(11)12/h1,4-6,8-9H,2-3,7H2,(H2,15,18)(H,16,20)
• InChIKey: BNKJPBWVEREECB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.686703
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2809027
• LogD (pH = 7.4): 1.3423895
• Log P: 1.3432362
• Molar Refractivity: 92.7574 cm^3
• Polarizability: 30.834806 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.1
• LOG S: -2.34
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 5