[(5-{3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)methyl](ethyl)methylamine

• ChemBase ID: 394922
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c12c(onc2C)nc(cc1C(=O)N1Cc2n(nc(c2)CN(CC)C)CC1)C
• Canonical SMILES: CCN(Cc1cc2n(n1)CCN(C2)C(=O)c1cc(C)nc2c1c(C)no2)C
• InChI: InChI=1S/C19H24N6O2/c1-5-23(4)10-14-9-15-11-24(6-7-25(15)21-14)19(26)16-8-12(2)20-18-17(16)13(3)22-27-18/h8-9H,5-7,10-11H2,1-4H3
• InChIKey: SRGXMRYFNDUFJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-{3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)methyl](ethyl)methylamine
• IUPAC Traditional name: [(5-{3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)methyl](ethyl)methylamine
• Synonyms: ({5-[(3,6-dimethylisoxazolo[5,4-b]pyridin-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)ethyl(methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5942427
• LogD (pH = 7.4): 0.021573292
• Log P: 0.34767747
• Molar Refractivity: 113.8718 cm^3
• Polarizability: 38.742252 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.54
• LOG S: -2.73
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 4