1-cyclopropanecarbonyl-3-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)methyl]piperidine

• ChemBase ID: 625724
• Molecular Formular: C19H26N6O
• Molecular Mass: 354.44934
• Monoisotopic Mass: 354.21680948
• SMILES: c1(nn2c(c1)CNCC2)c1n(CC2CN(C(=O)C3CC3)CCC2)ccn1
• Canonical SMILES: O=C(N1CCCC(C1)Cn1ccnc1c1nn2c(c1)CNCC2)C1CC1
• InChI: InChI=1S/C19H26N6O/c26-19(15-3-4-15)24-7-1-2-14(13-24)12-23-8-6-21-18(23)17-10-16-11-20-5-9-25(16)22-17/h6,8,10,14-15,20H,1-5,7,9,11-13H2
• InChIKey: SPWXITWWGGJTOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-3-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)methyl]piperidine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3-[(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)methyl]piperidine
• Synonyms: 2-(1-{[1-(cyclopropylcarbonyl)-3-piperidinyl]methyl}-1H-imidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6221746
• LogD (pH = 7.4): 0.19111785
• Log P: 0.7594117
• Molar Refractivity: 120.5397 cm^3
• Polarizability: 38.634274 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.01
• LOG S: -2.23
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 4