N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 620110
• Molecular Formular: C16H19N7O
• Molecular Mass: 325.36836
• Monoisotopic Mass: 325.16510826
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCC1(Cn2nc(cc2C)C)CC1
• Canonical SMILES: Cc1nn(c(c1)C)CC1(CNC(=O)c2ccn3c(c2)nnn3)CC1
• InChI: InChI=1S/C16H19N7O/c1-11-7-12(2)23(19-11)10-16(4-5-16)9-17-15(24)13-3-6-22-14(8-13)18-20-21-22/h3,6-8H,4-5,9-10H2,1-2H3,(H,17,24)
• InChIKey: AGXLAUOTJCMSJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.455939
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0026472
• LogD (pH = 7.4): 1.0056318
• Log P: 1.0056703
• Molar Refractivity: 112.682 cm^3
• Polarizability: 32.825054 Å^3
• Polar Surface Area: 90.0 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: 0.49
• LOG S: -1.99
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 5