[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C27H25F3N4O2 — CID 30757545

IUPAC[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc2nc(COc3cccc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)cn2c1
InChIInChI=1S/C27H25F3N4O2/c1-19-8-9-25-31-22(17-34(25)16-19)18-36-24-7-2-4-20(14-24)26(35)33-12-10-32(11-13-33)23-6-3-5-21(15-23)27(28,29)30/h2-9,14-17H,10-13,18H2,1H3
InChIKeyYOHIWWFBEOLZBC-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.20
Rot. Bonds5

About [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 30757545) has the molecular formula C27H25F3N4O2 and a molecular weight of 494.52 g/mol. Its IUPAC name is [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID30757545
Molecular FormulaC27H25F3N4O2
Molecular Weight494.52 g/mol
Exact Mass494.19
IUPAC Name[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc2nc(COc3cccc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)cn2c1
InChIInChI=1S/C27H25F3N4O2/c1-19-8-9-25-31-22(17-34(25)16-19)18-36-24-7-2-4-20(14-24)26(35)33-12-10-32(11-13-33)23-6-3-5-21(15-23)27(28,29)30/h2-9,14-17H,10-13,18H2,1H3
InChIKeyYOHIWWFBEOLZBC-UHFFFAOYSA-N
XLogP5.20
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55780437
cyclobutyl-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 56512391
2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55512123
[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119560978
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120804520
[2-(aminomethyl)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119467223
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119649641
methyl 2-[[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]acetate
CID 52552732
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 30757545) is [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1ccc2nc(COc3cccc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)cn2c1.
What is the InChIKey of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is YOHIWWFBEOLZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O2/c1-19-8-9-25-31-22(17-34(25)16-19)18-36-24-7-2-4-20(14-24)26(35)33-12-10-32(11-13-33)23-6-3-5-21(15-23)27(28,29)30/h2-9,14-17H,10-13,18H2,1H3.
What are the key properties of [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 494.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).