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

• ChemBase ID: 407796
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: c1(C(=O)N2Cc3n(nc(c3)CCC(=O)NCCO)CC2)cc(sc1)C
• Canonical SMILES: OCCNC(=O)CCc1cc2n(n1)CCN(C2)C(=O)c1csc(c1)C
• InChI: InChI=1S/C17H22N4O3S/c1-12-8-13(11-25-12)17(24)20-5-6-21-15(10-20)9-14(19-21)2-3-16(23)18-4-7-22/h8-9,11,22H,2-7,10H2,1H3,(H,18,23)
• InChIKey: GCCPYYPQZKNNTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.976509
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.28116682
• LogD (pH = 7.4): 0.2812141
• Log P: 0.2812147
• Molar Refractivity: 107.0124 cm^3
• Polarizability: 35.904976 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.17
• LOG S: -2.15
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 6