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

• ChemBase ID: 372079
• Molecular Formular: C21H24N4O3
• Molecular Mass: 380.44026
• Monoisotopic Mass: 380.18484065
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)C1Oc3c(C1)cccc3)C2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)C1Cc2c(O1)cccc2
• InChI: InChI=1S/C21H24N4O3/c26-20(22-15-5-6-15)8-7-16-12-17-13-24(9-10-25(17)23-16)21(27)19-11-14-3-1-2-4-18(14)28-19/h1-4,12,15,19H,5-11,13H2,(H,22,26)
• InChIKey: RINMUKCACIOCRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[5-(2,3-dihydro-1-benzofuran-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[5-(2,3-dihydro-1-benzofuran-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-[5-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.049386
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.92510456
• LogD (pH = 7.4): 0.9251518
• Log P: 0.9251524
• Molar Refractivity: 114.1157 cm^3
• Polarizability: 39.75224 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.08
• LOG S: -3.21
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5