3,5-dimethyl-4-{1-[5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]pyrrolidin-2-yl}-1,2-oxazole

• ChemBase ID: 768159
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)N1C(c2c(onc2C)C)CCC1
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)N1CCCC1c1c(C)noc1C)C
• InChI: InChI=1S/C19H27N5O2/c1-12(2)22-8-9-24-15(11-22)10-16(20-24)19(25)23-7-5-6-17(23)18-13(3)21-26-14(18)4/h10,12,17H,5-9,11H2,1-4H3
• InChIKey: RDSLTCLCSXFZTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-4-{1-[5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]pyrrolidin-2-yl}-1,2-oxazole
• IUPAC Traditional name: 4-(1-{5-isopropyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
• Synonyms: 2-{[2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]carbonyl}-5-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.53581893
• LogD (pH = 7.4): 1.3974465
• Log P: 1.433719
• Molar Refractivity: 112.0868 cm^3
• Polarizability: 37.50718 Å^3
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.14
• LOG S: -2.78
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 3