N-(2-methoxyethyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-(1,3-thiazol-2-ylmethyl)propanamide

• ChemBase ID: 463633
• Molecular Formular: C16H23N5O2S
• Molecular Mass: 349.45112
• Monoisotopic Mass: 349.157246
• SMILES: n12nc(cc1CNCC2)CCC(=O)N(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(C(=O)CCc1nn2c(c1)CNCC2)Cc1nccs1
• InChI: InChI=1S/C16H23N5O2S/c1-23-8-7-20(12-15-18-5-9-24-15)16(22)3-2-13-10-14-11-17-4-6-21(14)19-13/h5,9-10,17H,2-4,6-8,11-12H2,1H3
• InChIKey: MONHOECDCCYAIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-(1,3-thiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-(1,3-thiazol-2-ylmethyl)propanamide
• Synonyms: N-(2-methoxyethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.3984966
• LogD (pH = 7.4): -0.72448534
• Log P: -0.28596985
• Molar Refractivity: 103.4098 cm^3
• Polarizability: 35.58676 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.2
• LOG S: -3.23
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 8