6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

C50H53ClF6N8O3 — CID 158416540

About 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 158416540) has the molecular formula C50H53ClF6N8O3 and a molecular weight of 963.47 g/mol. Its IUPAC name is 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

• Compound Name: 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
• PubChem CID: 158416540
• Molecular Formula: C50H53ClF6N8O3
• Molecular Weight: 963.47 g/mol
• Exact Mass: 962.38
• IUPAC Name: 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
• SMILES: Cl.FC(F)(F)c1cccc(N2CCNCC2)c1.O=C(O)c1cn2c(n1)CCC(c1ccccc1)C2.O=C(c1cn2c(n1)CCC(c1ccccc1)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C25H25F3N4O.C14H14N2O2.C11H13F3N2.ClH/c26-25(27,28)20-7-4-8-21(15-20)30-11-13-31(14-12-30)24(33)22-17-32-16-19(9-10-23(32)29-22)18-5-2-1-3-6-18;17-14(18)12-9-16-8-11(6-7-13(16)15-12)10-4-2-1-3-5-10;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-8,15,17,19H,9-14,16H2;1-5,9,11H,6-8H2,(H,17,18);1-3,8,15H,4-7H2;1H
• InChIKey: VIFHRNJYHMTBRV-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 111.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.47
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?

The IUPAC name of 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 158416540) is 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

What is the SMILES notation for 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?

The canonical SMILES for 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cccc(N2CCNCC2)c1.O=C(O)c1cn2c(n1)CCC(c1ccccc1)C2.O=C(c1cn2c(n1)CCC(c1ccccc1)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1.

What is the InChIKey of 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?

The InChIKey is VIFHRNJYHMTBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O.C14H14N2O2.C11H13F3N2.ClH/c26-25(27,28)20-7-4-8-21(15-20)30-11-13-31(14-12-30)24(33)22-17-32-16-19(9-10-23(32)29-22)18-5-2-1-3-6-18;17-14(18)12-9-16-8-11(6-7-13(16)15-12)10-4-2-1-3-5-10;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-8,15,17,19H,9-14,16H2;1-5,9,11H,6-8H2,(H,17,18);1-3,8,15H,4-7H2;1H.

What are the key properties of 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?

6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 963.47 g/mol, XLogP of 9.44, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 158416540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).