N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 667834
• Molecular Formular: C17H18N6OS
• Molecular Mass: 354.42942
• Monoisotopic Mass: 354.12628023
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCCc1nc(sc1)c1ncccn1
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCCc1csc(n1)c1ncccn1
• InChI: InChI=1S/C17H18N6OS/c24-16(13-10-21-23-9-2-1-4-14(13)23)20-8-5-12-11-25-17(22-12)15-18-6-3-7-19-15/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,20,24)
• InChIKey: AVMKBZNUXMFQHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.715018
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4103596
• LogD (pH = 7.4): 1.4103974
• Log P: 1.410398
• Molar Refractivity: 127.5186 cm^3
• Polarizability: 35.405533 Å^3
• Polar Surface Area: 85.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.15
• LOG S: -2.77
• Polar Surface Area: 85.59 Å^2
• Rotatable Bonds: 5