N-cyclopropyl-3-[5-(oxolan-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 740387
• Molecular Formular: C17H26N4O2
• Molecular Mass: 318.41394
• Monoisotopic Mass: 318.20557609
• SMILES: n12c(cc(n1)CCC(=O)NC1CC1)CN(CC1COCC1)CC2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)CC1COCC1
• InChI: InChI=1S/C17H26N4O2/c22-17(18-14-1-2-14)4-3-15-9-16-11-20(6-7-21(16)19-15)10-13-5-8-23-12-13/h9,13-14H,1-8,10-12H2,(H,18,22)
• InChIKey: NFDOYZXDDXPHCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[5-(oxolan-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[5-(oxolan-3-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-[5-(tetrahydro-3-furanylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.39336
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.362836
• LogD (pH = 7.4): -0.62434584
• Log P: -0.051715367
• Molar Refractivity: 99.4212 cm^3
• Polarizability: 34.087914 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.04
• LOG S: -1.94
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6