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

• ChemBase ID: 451458
• Molecular Formular: C14H15N7O
• Molecular Mass: 297.3152
• Monoisotopic Mass: 297.13380814
• SMILES: c12n(nnn1)ccc(C(=O)NC(c1n(ccn1)C)C1CC1)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)NC(c1nccn1C)C1CC1
• InChI: InChI=1S/C14H15N7O/c1-20-7-5-15-13(20)12(9-2-3-9)16-14(22)10-4-6-21-11(8-10)17-18-19-21/h4-9,12H,2-3H2,1H3,(H,16,22)
• InChIKey: USNDAGYMRXXBTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[cyclopropyl(1-methylimidazol-2-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.717124
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.26616743
• LogD (pH = 7.4): 0.75776446
• Log P: 0.7726281
• Molar Refractivity: 91.6043 cm^3
• Polarizability: 29.243187 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.54
• LOG S: -2.22
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 4