2-{2-ethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carbonyl}-6-methylimidazo[1,2-a]pyridine

• ChemBase ID: 479001
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1Cc2c(nc(nc2)CC)C1
• Canonical SMILES: CCc1ncc2c(n1)CN(C2)C(=O)c1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C17H17N5O/c1-3-15-18-6-12-8-22(9-13(12)19-15)17(23)14-10-21-7-11(2)4-5-16(21)20-14/h4-7,10H,3,8-9H2,1-2H3
• InChIKey: UDENOIKGRPPOPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-ethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carbonyl}-6-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-{2-ethyl-5H,7H-pyrrolo[3,4-d]pyrimidine-6-carbonyl}-6-methylimidazo[1,2-a]pyridine
• Synonyms: 2-ethyl-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.941256
• LogD (pH = 7.4): 1.9501723
• Log P: 1.9502872
• Molar Refractivity: 88.038 cm^3
• Polarizability: 32.258026 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.09
• LOG S: -2.83
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2