Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C₅₅H₆₃F₉N₁₆O — CID 157063868

About Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 157063868) has the molecular formula C₅₅H₆₃F₉N₁₆O and a molecular weight of 1135.20 g/mol. Its IUPAC name is ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
• PubChem CID: 157063868
• Molecular Formula: C₅₅H₆₃F₉N₁₆O
• Molecular Weight: 1135.20 g/mol
• Exact Mass: 1134.52
• IUPAC Name: ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
• SMILES: CC.CC.CC.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCNCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1
• InChI: InChI=1S/C17H16F3N5.C16H15F3N6.C16H14F3N5O.3C2H6/c18-17(19,20)12-4-5-15-22-10-14(25(15)11-12)13-6-7-21-16(23-13)24-8-2-1-3-9-24;17-16(18,19)11-1-2-14-22-9-13(25(14)10-11)12-3-4-21-15(23-12)24-7-5-20-6-8-24;17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;3*1-2/h4-7,10-11H,1-3,8-9H2;1-4,9-10,20H,5-8H2;1-4,9-10H,5-8H2;3*1-2H3
• InChIKey: ABQIKUXEXOTHBW-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 160.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.20
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

The IUPAC name of Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 157063868) is ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

What is the SMILES notation for Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

The canonical SMILES for Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is CC.CC.CC.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCNCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1.

What is the InChIKey of Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

The InChIKey is ABQIKUXEXOTHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5.C16H15F3N6.C16H14F3N5O.3C2H6/c18-17(19,20)12-4-5-15-22-10-14(25(15)11-12)13-6-7-21-16(23-13)24-8-2-1-3-9-24;17-16(18,19)11-1-2-14-22-9-13(25(14)10-11)12-3-4-21-15(23-12)24-7-5-20-6-8-24;17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;3*1-2/h4-7,10-11H,1-3,8-9H2;1-4,9-10,20H,5-8H2;1-4,9-10H,5-8H2;3*1-2H3.

What are the key properties of Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1135.20 g/mol, XLogP of 11.75, 6 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 157063868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157063868 — identifiers, structure, computed properties (public domain)

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