N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 682858
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: c12n(nnn1)ccc(c2)C(=O)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N[C@@H]1CCC[C@H]1OCc1ccccc1
• InChI: InChI=1S/C18H19N5O2/c24-18(14-9-10-23-17(11-14)20-21-22-23)19-15-7-4-8-16(15)25-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,19,24)/t15-,16-/m1/s1
• InChIKey: ATLFLZUZDCSXPS-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.526807
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5246468
• LogD (pH = 7.4): 2.5246465
• Log P: 2.5246468
• Molar Refractivity: 105.2644 cm^3
• Polarizability: 34.99103 Å^3
• Polar Surface Area: 81.41 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: 1.61
• LOG S: -3.04
• Polar Surface Area: 81.41 Å^2
• Rotatable Bonds: 5