N-[(5-amino-1,3,4-thiadiazol-2-yl)(phenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 317686
• Molecular Formular: C17H14N6OS
• Molecular Mass: 350.39766
• Monoisotopic Mass: 350.0949801
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(c1sc(nn1)N)c1ccccc1
• Canonical SMILES: Nc1nnc(s1)C(c1ccccc1)NC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C17H14N6OS/c18-17-22-21-16(25-17)14(11-5-2-1-3-6-11)20-15(24)13-8-4-7-12-9-10-19-23(12)13/h1-10,14H,(H2,18,22)(H,20,24)
• InChIKey: IABGHJMAXUDKHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.941093
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8618828
• LogD (pH = 7.4): 1.8619387
• Log P: 1.8619395
• Molar Refractivity: 107.6329 cm^3
• Polarizability: 35.87785 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.37
• LOG S: -3.78
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 4