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

• ChemBase ID: 547556
• Molecular Formular: C18H26N6O
• Molecular Mass: 342.43864
• Monoisotopic Mass: 342.21680948
• SMILES: c1(nn2c(c1)CNCC2)c1n(ccn1)CCC(=O)NC1CCCCC1
• Canonical SMILES: O=C(NC1CCCCC1)CCn1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C18H26N6O/c25-17(21-14-4-2-1-3-5-14)6-9-23-10-8-20-18(23)16-12-15-13-19-7-11-24(15)22-16/h8,10,12,14,19H,1-7,9,11,13H2,(H,21,25)
• InChIKey: HNVWVJINPIIOHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.494043
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2266068
• LogD (pH = 7.4): 0.5864681
• Log P: 1.1547575
• Molar Refractivity: 117.2161 cm^3
• Polarizability: 37.520355 Å^3
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.51
• LOG S: -2.57
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 5