1-(2-{2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidine-1-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl)ethan-1-one

• ChemBase ID: 677430
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1(nn2c(c1)CN(C(=O)C)CC2)C(=O)N1C(c2noc(c2)C(C)C)CCC1
• Canonical SMILES: CC(=O)N1CCn2c(C1)cc(n2)C(=O)N1CCCC1c1noc(c1)C(C)C
• InChI: InChI=1S/C19H25N5O3/c1-12(2)18-10-15(21-27-18)17-5-4-6-23(17)19(26)16-9-14-11-22(13(3)25)7-8-24(14)20-16/h9-10,12,17H,4-8,11H2,1-3H3
• InChIKey: UHMZTZLGLSOUJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidine-1-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl)ethan-1-one
• IUPAC Traditional name: 1-{2-[2-(5-isopropyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}ethanone
• Synonyms: 5-acetyl-2-{[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.87701494
• LogD (pH = 7.4): 0.8770166
• Log P: 0.8770166
• Molar Refractivity: 111.1476 cm^3
• Polarizability: 37.397488 Å^3
• Polar Surface Area: 84.47 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: -0.13
• LOG S: -3.1
• Polar Surface Area: 84.47 Å^2
• Rotatable Bonds: 3