N-[(1R)-2,3-dihydro-1H-inden-1-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 421984
• Molecular Formular: C15H13N5O
• Molecular Mass: 279.29662
• Monoisotopic Mass: 279.11201006
• SMILES: c12n(nnn1)ccc(c2)C(=O)N[C@H]1c2c(CC1)cccc2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N[C@@H]1CCc2c1cccc2
• InChI: InChI=1S/C15H13N5O/c21-15(11-7-8-20-14(9-11)17-18-19-20)16-13-6-5-10-3-1-2-4-12(10)13/h1-4,7-9,13H,5-6H2,(H,16,21)/t13-/m1/s1
• InChIKey: BFXOUNGSXCEBRE-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(1R)-2,3-dihydro-1H-inden-1-yl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.525351
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1459463
• LogD (pH = 7.4): 2.145946
• Log P: 2.1459463
• Molar Refractivity: 90.3193 cm^3
• Polarizability: 28.766376 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.19
• LOG S: -2.25
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 2