1-(5-{1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl)pyrrolidine

• ChemBase ID: 642375
• Molecular Formular: C18H21N7O2
• Molecular Mass: 367.40504
• Monoisotopic Mass: 367.17567295
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N1Cc2n(nc(c2)C(=O)N2CCCC2)CC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1cnn2c1n(C)cc2)N1CCCC1
• InChI: InChI=1S/C18H21N7O2/c1-21-6-8-25-16(21)14(11-19-25)17(26)23-7-9-24-13(12-23)10-15(20-24)18(27)22-4-2-3-5-22/h6,8,10-11H,2-5,7,9,12H2,1H3
• InChIKey: MKHATQPBRHQZJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-{1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl)pyrrolidine
• IUPAC Traditional name: 1-(5-{1-methylpyrazolo[1,5-a]imidazole-7-carbonyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl)pyrrolidine
• Synonyms: 5-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 120.9884 cm^3
• Polarizability: 36.35067 Å^3
• Polar Surface Area: 80.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3737826
• LogD (pH = 7.4): 0.3737837
• Log P: 0.37378374

供应商提供(Chembridge)

• Polar Surface Area: 80.67 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 0
• Log P: -3.02
• LOG S: -0.6