N-{[5-(dimethylcarbamoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 332583
• Molecular Formular: C18H24N6O3
• Molecular Mass: 372.42156
• Monoisotopic Mass: 372.19098866
• SMILES: c12n(nc(c1)CNC(=O)c1cc(=O)n(cc1)CC)CCN(C(=O)N(C)C)C2
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)NCc1nn2c(c1)CN(CC2)C(=O)N(C)C
• InChI: InChI=1S/C18H24N6O3/c1-4-22-6-5-13(9-16(22)25)17(26)19-11-14-10-15-12-23(18(27)21(2)3)7-8-24(15)20-14/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,19,26)
• InChIKey: NQEAYVFCENNXNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(dimethylcarbamoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-{[5-(dimethylcarbamoyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}-1-ethyl-2-oxopyridine-4-carboxamide
• Synonyms: 2-({[(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]amino}methyl)-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.053804
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2865157
• LogD (pH = 7.4): -1.2864882
• Log P: -1.2864878
• Molar Refractivity: 112.595 cm^3
• Polarizability: 37.641922 Å^3
• Polar Surface Area: 90.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.46
• LOG S: -1.98
• Polar Surface Area: 92.47 Å^2
• Rotatable Bonds: 4