3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C42H48F6N12O3Si — CID 159305337

About 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 159305337) has the molecular formula C42H48F6N12O3Si and a molecular weight of 911.00 g/mol. Its IUPAC name is 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• PubChem CID: 159305337
• Molecular Formula: C42H48F6N12O3Si
• Molecular Weight: 911.00 g/mol
• Exact Mass: 910.36
• IUPAC Name: 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• SMILES: Cc1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n(COCC[Si](C)(C)C)n1.Cc1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n[nH]1
• InChI: InChI=1S/C24H31F3N6O2Si.C18H17F3N6O/c1-16-12-20(32(31-16)15-35-10-11-36(2,3)4)21-14-29-23-22(28-8-5-9-34)30-18-13-17(24(25,26)27)6-7-19(18)33(21)23;1-10-7-13(26-25-10)15-9-23-17-16(22-5-2-6-28)24-12-8-11(18(19,20)21)3-4-14(12)27(15)17/h6-7,12-14,34H,5,8-11,15H2,1-4H3,(H,28,30);3-4,7-9,28H,2,5-6H2,1H3,(H,22,24)(H,25,26)
• InChIKey: LBVSWKSGRATIKP-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 180.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	911.00
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The IUPAC name of 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 159305337) is 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

What is the SMILES notation for 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The canonical SMILES for 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is Cc1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n(COCC[Si](C)(C)C)n1.Cc1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n[nH]1.

What is the InChIKey of 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The InChIKey is LBVSWKSGRATIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O2Si.C18H17F3N6O/c1-16-12-20(32(31-16)15-35-10-11-36(2,3)4)21-14-29-23-22(28-8-5-9-34)30-18-13-17(24(25,26)27)6-7-19(18)33(21)23;1-10-7-13(26-25-10)15-9-23-17-16(22-5-2-6-28)24-12-8-11(18(19,20)21)3-4-14(12)27(15)17/h6-7,12-14,34H,5,8-11,15H2,1-4H3,(H,28,30);3-4,7-9,28H,2,5-6H2,1H3,(H,22,24)(H,25,26).

What are the key properties of 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 911.00 g/mol, XLogP of 8.57, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(5-methyl-1H-pyrazol-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 159305337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).