5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide

C25H33F5N6O2Si — CID 166009020

About 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide

5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide (PubChem CID 166009020) has the molecular formula C25H33F5N6O2Si and a molecular weight of 572.66 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
• PubChem CID: 166009020
• Molecular Formula: C25H33F5N6O2Si
• Molecular Weight: 572.66 g/mol
• Exact Mass: 572.24
• IUPAC Name: 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
• SMILES: C[Si](C)(C)CCOCn1ncc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c1C(F)F
• InChI: InChI=1S/C25H33F5N6O2Si/c1-39(2,3)12-11-38-15-36-22(23(26)27)18(13-31-36)24(37)33-17-9-7-16(8-10-17)32-20-5-4-6-21-34-19(14-35(20)21)25(28,29)30/h4-6,13-14,16-17,23,32H,7-12,15H2,1-3H3,(H,33,37)
• InChIKey: RNEHYCQOYXOHLG-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 85.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.66
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

The IUPAC name of 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide (CID 166009020) is 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide is C[Si](C)(C)CCOCn1ncc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c1C(F)F.

What is the InChIKey of 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

The InChIKey is RNEHYCQOYXOHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F5N6O2Si/c1-39(2,3)12-11-38-15-36-22(23(26)27)18(13-31-36)24(37)33-17-9-7-16(8-10-17)32-20-5-4-6-21-34-19(14-35(20)21)25(28,29)30/h4-6,13-14,16-17,23,32H,7-12,15H2,1-3H3,(H,33,37).

What are the key properties of 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?

5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide has a molecular weight of 572.66 g/mol, XLogP of 5.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166009020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).