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

• ChemBase ID: 365393
• Molecular Formular: C18H23N5O2S
• Molecular Mass: 373.47252
• Monoisotopic Mass: 373.157246
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)Cc1nc(sc1)C)C2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)Cc1csc(n1)C
• InChI: InChI=1S/C18H23N5O2S/c1-12-19-15(11-26-12)9-18(25)22-6-7-23-16(10-22)8-14(21-23)4-5-17(24)20-13-2-3-13/h8,11,13H,2-7,9-10H2,1H3,(H,20,24)
• InChIKey: CDEYHOSYDDZNCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.183015
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15704653
• LogD (pH = 7.4): 0.15843399
• Log P: 0.15845172
• Molar Refractivity: 109.0977 cm^3
• Polarizability: 37.544502 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.9
• LOG S: -2.46
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 6