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

• ChemBase ID: 398651
• Molecular Formular: C16H20N6O2S
• Molecular Mass: 360.434
• Monoisotopic Mass: 360.13684491
• SMILES: c1(C(=O)N2Cc3n(nc(c3)CCC(=O)NC3CC3)CC2)c(nns1)C
• Canonical SMILES: O=C(NC1CC1)CCc1cc2n(n1)CCN(C2)C(=O)c1snnc1C
• InChI: InChI=1S/C16H20N6O2S/c1-10-15(25-20-18-10)16(24)21-6-7-22-13(9-21)8-12(19-22)4-5-14(23)17-11-2-3-11/h8,11H,2-7,9H2,1H3,(H,17,23)
• InChIKey: PXMIVUDQEZGHBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.009322
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.13692236
• LogD (pH = 7.4): -0.1368749
• Log P: -0.13687429
• Molar Refractivity: 104.4428 cm^3
• Polarizability: 34.725605 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: -1.78
• LOG S: -1.62
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 5