(7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C27H34F3N5O2Si — CID 140827006

About (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 140827006) has the molecular formula C27H34F3N5O2Si and a molecular weight of 545.68 g/mol. Its IUPAC name is (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 140827006
• Molecular Formula: C27H34F3N5O2Si
• Molecular Weight: 545.68 g/mol
• Exact Mass: 545.24
• IUPAC Name: (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3cnc(C4CCC4)n3COCC[Si](C)(C)C)cnn21
• InChI: InChI=1S/C27H34F3N5O2Si/c1-18-16-33(21-10-8-20(9-11-21)27(28,29)30)26(36)24-22(14-32-35(18)24)23-15-31-25(19-6-5-7-19)34(23)17-37-12-13-38(2,3)4/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3/t18-/m0/s1
• InChIKey: FKVYHYUFHKKQCA-SFHVURJKSA-N
• XLogP: 6.57
• TPSA: 65.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.68
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 140827006) is (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3cnc(C4CCC4)n3COCC[Si](C)(C)C)cnn21.

What is the InChIKey of (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is FKVYHYUFHKKQCA-SFHVURJKSA-N. The full InChI is InChI=1S/C27H34F3N5O2Si/c1-18-16-33(21-10-8-20(9-11-21)27(28,29)30)26(36)24-22(14-32-35(18)24)23-15-31-25(19-6-5-7-19)34(23)17-37-12-13-38(2,3)4/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3/t18-/m0/s1.

What are the key properties of (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 545.68 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3-[2-cyclobutyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 140827006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).