5-{3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl}-N-(2-hydroxyethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 380222
• Molecular Formular: C18H19FN6O3
• Molecular Mass: 386.3802632
• Monoisotopic Mass: 386.15026672
• SMILES: c1(c(n2c(n1)c(ccc2)C)F)C(=O)N1Cc2n(nc(c2)C(=O)NCCO)CC1
• Canonical SMILES: OCCNC(=O)c1nn2c(c1)CN(CC2)C(=O)c1nc2n(c1F)cccc2C
• InChI: InChI=1S/C18H19FN6O3/c1-11-3-2-5-24-15(19)14(21-16(11)24)18(28)23-6-7-25-12(10-23)9-13(22-25)17(27)20-4-8-26/h2-3,5,9,26H,4,6-8,10H2,1H3,(H,20,27)
• InChIKey: DJLQILSJHMRFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl}-N-(2-hydroxyethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-{3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl}-N-(2-hydroxyethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-N-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0185175
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.3409794
• LogD (pH = 7.4): -0.3408481
• Log P: -0.34084633
• Molar Refractivity: 110.9682 cm^3
• Polarizability: 36.085827 Å^3
• Polar Surface Area: 104.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.08
• LOG S: -3.25
• Polar Surface Area: 104.76 Å^2
• Rotatable Bonds: 4