5-(propan-2-yl)-3-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)-1,2-oxazole

• ChemBase ID: 520803
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1C(c2noc(c2)C(C)C)CCC1
• Canonical SMILES: O=C(c1cccc2n1ncc2)N1CCCC1c1noc(c1)C(C)C
• InChI: InChI=1S/C18H20N4O2/c1-12(2)17-11-14(20-24-17)15-7-4-10-21(15)18(23)16-6-3-5-13-8-9-19-22(13)16/h3,5-6,8-9,11-12,15H,4,7,10H2,1-2H3
• InChIKey: CYXPVBVBNFQVQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-3-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)-1,2-oxazole
• IUPAC Traditional name: 5-isopropyl-3-(1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-2-yl)-1,2-oxazole
• Synonyms: 7-{[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.596422
• LogD (pH = 7.4): 2.5964766
• Log P: 2.5964773
• Molar Refractivity: 101.6912 cm^3
• Polarizability: 34.451866 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -2.5
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3