[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C27H29F3N4O — CID 42878709

IUPAC[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)cc1
InChIInChI=1S/C27H29F3N4O/c1-2-19-6-8-20(9-7-19)21-10-11-25-31-24(18-34(25)17-21)26(35)33-14-12-32(13-15-33)23-5-3-4-22(16-23)27(28,29)30/h3-9,16,18,21H,2,10-15,17H2,1H3
InChIKeyDTQMAAMEIAYUOE-UHFFFAOYSA-N
MW482.55 g/mol
LogP5.16
Rot. Bonds4

About [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 42878709) has the molecular formula C27H29F3N4O and a molecular weight of 482.55 g/mol. Its IUPAC name is [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID42878709
Molecular FormulaC27H29F3N4O
Molecular Weight482.55 g/mol
Exact Mass482.23
IUPAC Name[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCc1ccc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)cc1
InChIInChI=1S/C27H29F3N4O/c1-2-19-6-8-20(9-7-19)21-10-11-25-31-24(18-34(25)17-21)26(35)33-14-12-32(13-15-33)23-5-3-4-22(16-23)27(28,29)30/h3-9,16,18,21H,2,10-15,17H2,1H3
InChIKeyDTQMAAMEIAYUOE-UHFFFAOYSA-N
XLogP5.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 98408994
(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 46080879
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020
benzene;[2-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 174522787
6-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878707
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
2-phenyl-1-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 23113295
(4-ethylthiadiazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 34829975
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
chloro 2-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 174536185

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 42878709) is [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CCc1ccc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)cc1.
What is the InChIKey of [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is DTQMAAMEIAYUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O/c1-2-19-6-8-20(9-7-19)21-10-11-25-31-24(18-34(25)17-21)26(35)33-14-12-32(13-15-33)23-5-3-4-22(16-23)27(28,29)30/h3-9,16,18,21H,2,10-15,17H2,1H3.
What are the key properties of [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 482.55 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42878709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).