N-cyclopropyl-3-(5-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide

• ChemBase ID: 846793
• Molecular Formular: C18H26N6O2
• Molecular Mass: 358.43804
• Monoisotopic Mass: 358.2117241
• SMILES: n12c(cc(n1)CCC(=O)NC1CC1)CN(Cc1oc(nn1)C(C)C)CC2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)Cc1nnc(o1)C(C)C
• InChI: InChI=1S/C18H26N6O2/c1-12(2)18-21-20-17(26-18)11-23-7-8-24-15(10-23)9-14(22-24)5-6-16(25)19-13-3-4-13/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,25)
• InChIKey: LKEQOSFABOMGBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(5-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-cyclopropyl-3-{5-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.181562
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.03362999
• LogD (pH = 7.4): 0.07462734
• Log P: 0.075175874
• Molar Refractivity: 109.3348 cm^3
• Polarizability: 36.937984 Å^3
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.2
• LOG S: -2.95
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 7