2-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)pyridine

• ChemBase ID: 622922
• Molecular Formular: C15H14N6O
• Molecular Mass: 294.31126
• Monoisotopic Mass: 294.1229091
• SMILES: c12n(nnn1)ccc(C(=O)N1C(c3ncccc3)CCC1)c2
• Canonical SMILES: O=C(N1CCCC1c1ccccn1)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C15H14N6O/c22-15(11-6-9-21-14(10-11)17-18-19-21)20-8-3-5-13(20)12-4-1-2-7-16-12/h1-2,4,6-7,9-10,13H,3,5,8H2
• InChIKey: BQEGFGSVHQPVGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 2-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)pyridine
• Synonyms: 7-{[2-(2-pyridinyl)-1-pyrrolidinyl]carbonyl}tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2926887
• LogD (pH = 7.4): 1.3067687
• Log P: 1.3069514
• Molar Refractivity: 92.2424 cm^3
• Polarizability: 29.730999 Å^3
• Polar Surface Area: 76.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.95
• LOG S: -0.55
• Polar Surface Area: 76.28 Å^2
• Rotatable Bonds: 2