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

• ChemBase ID: 761742
• Molecular Formular: C18H22N6O2
• Molecular Mass: 354.40628
• Monoisotopic Mass: 354.18042397
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)c1ncc(nc1)C)C2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)c1cnc(cn1)C
• InChI: InChI=1S/C18H22N6O2/c1-12-9-20-16(10-19-12)18(26)23-6-7-24-15(11-23)8-14(22-24)4-5-17(25)21-13-2-3-13/h8-10,13H,2-7,11H2,1H3,(H,21,25)
• InChIKey: FDIJMDUHPIRDIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071562
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9075952
• LogD (pH = 7.4): -0.90754646
• Log P: -0.90754586
• Molar Refractivity: 105.6749 cm^3
• Polarizability: 35.920116 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.91
• LOG S: -1.46
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 5