[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]({[5-(furan-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl})methylamine

• ChemBase ID: 648639
• Molecular Formular: C20H23N5O3
• Molecular Mass: 381.42832
• Monoisotopic Mass: 381.18008962
• SMILES: c12n(nc(c1)CN(Cc1noc(c1)C1CC1)C)CCN(C(=O)c1occc1)C2
• Canonical SMILES: CN(Cc1noc(c1)C1CC1)Cc1nn2c(c1)CN(CC2)C(=O)c1ccco1
• InChI: InChI=1S/C20H23N5O3/c1-23(12-16-10-19(28-22-16)14-4-5-14)11-15-9-17-13-24(6-7-25(17)21-15)20(26)18-3-2-8-27-18/h2-3,8-10,14H,4-7,11-13H2,1H3
• InChIKey: KWYUWLNNSLSAJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl]({[5-(furan-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl})methylamine
• IUPAC Traditional name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl]({[5-(furan-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl})methylamine
• Synonyms: 1-(5-cyclopropyl-3-isoxazolyl)-N-{[5-(2-furoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8590371
• LogD (pH = 7.4): 1.0459942
• Log P: 1.0489839
• Molar Refractivity: 114.6412 cm^3
• Polarizability: 38.62532 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.49
• LOG S: -2.4
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 6