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

C42H48F6N12O3Si — CID 160696308

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

3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 160696308) has the molecular formula C42H48F6N12O3Si and a molecular weight of 911.00 g/mol. Its IUPAC name is 3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• PubChem CID: 160696308
• Molecular Formula: C42H48F6N12O3Si
• Molecular Weight: 911.00 g/mol
• Exact Mass: 910.36
• IUPAC Name: 3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• SMILES: Cc1cn[nH]c1-c1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12.Cc1cnn(COCC[Si](C)(C)C)c1-c1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12
• InChI: InChI=1S/C24H31F3N6O2Si.C18H17F3N6O/c1-16-13-30-32(15-35-10-11-36(2,3)4)21(16)20-14-29-23-22(28-8-5-9-34)31-18-12-17(24(25,26)27)6-7-19(18)33(20)23;1-10-8-24-26-15(10)14-9-23-17-16(22-5-2-6-28)25-12-7-11(18(19,20)21)3-4-13(12)27(14)17/h6-7,12-14,34H,5,8-11,15H2,1-4H3,(H,28,31);3-4,7-9,28H,2,5-6H2,1H3,(H,22,25)(H,24,26)
• InChIKey: RQAQPEMCXFTVIX-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-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The IUPAC name of 3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 160696308) is 3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

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

The canonical SMILES for 3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is Cc1cn[nH]c1-c1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12.Cc1cnn(COCC[Si](C)(C)C)c1-c1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12.

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

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

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

3-[[1-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-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-(4-methyl-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;3-[[1-[4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 160696308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).