N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 446433
• Molecular Formular: C17H20N6O3
• Molecular Mass: 356.3791
• Monoisotopic Mass: 356.15968853
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCC(c1oc(cc1)C)N1CCOCC1
• Canonical SMILES: Cc1ccc(o1)C(N1CCOCC1)CNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C17H20N6O3/c1-12-2-3-15(26-12)14(22-6-8-25-9-7-22)11-18-17(24)13-4-5-23-16(10-13)19-20-21-23/h2-5,10,14H,6-9,11H2,1H3,(H,18,24)
• InChIKey: UNAZKNDZFDWJAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(5-methyl-2-furyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.436971
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.4433923
• LogD (pH = 7.4): 0.7165631
• Log P: 0.72144115
• Molar Refractivity: 107.0429 cm^3
• Polarizability: 35.21552 Å^3
• Polar Surface Area: 97.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.79
• LOG S: -2.43
• Polar Surface Area: 97.79 Å^2
• Rotatable Bonds: 5