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

• ChemBase ID: 340253
• Molecular Formular: C19H22N6O3
• Molecular Mass: 382.41638
• Monoisotopic Mass: 382.17533859
• SMILES: c1(C(=O)N2Cc3n(nc(c3)CN(Cc3nocc3)C)CC2)c(C2CC2)ocn1
• Canonical SMILES: CN(Cc1nocc1)Cc1nn2c(c1)CN(CC2)C(=O)c1ncoc1C1CC1
• InChI: InChI=1S/C19H22N6O3/c1-23(9-14-4-7-28-22-14)10-15-8-16-11-24(5-6-25(16)21-15)19(26)17-18(13-2-3-13)27-12-20-17/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3
• InChIKey: YQHGUSSIBALCMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine
• IUPAC Traditional name: {[5-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}(methyl)(1,2-oxazol-3-ylmethyl)amine
• Synonyms: ({5-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)(3-isoxazolylmethyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.13566162
• LogD (pH = 7.4): 0.31366426
• Log P: 0.31647903
• Molar Refractivity: 112.5877 cm^3
• Polarizability: 37.7817 Å^3
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -1.58
• LOG S: -1.95
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 6