3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

C36H35F3N4O4 — CID 4522920

IUPAC3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(OC)cc(C(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cnc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C36H35F3N4O4/c1-45-29-18-26(19-30(21-29)46-2)31(32-23-40-35-33(12-7-13-43(32)35)47-24-25-8-4-3-5-9-25)22-34(44)42-16-14-41(15-17-42)28-11-6-10-27(20-28)36(37,38)39/h3-13,18-21,23,31H,14-17,22,24H2,1-2H3
InChIKeyTXWVYXLFCOVLKK-UHFFFAOYSA-N
MW644.69 g/mol
LogP6.82
Rot. Bonds10

About 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 4522920) has the molecular formula C36H35F3N4O4 and a molecular weight of 644.69 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID4522920
Molecular FormulaC36H35F3N4O4
Molecular Weight644.69 g/mol
Exact Mass644.26
IUPAC Name3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(OC)cc(C(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cnc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C36H35F3N4O4/c1-45-29-18-26(19-30(21-29)46-2)31(32-23-40-35-33(12-7-13-43(32)35)47-24-25-8-4-3-5-9-25)22-34(44)42-16-14-41(15-17-42)28-11-6-10-27(20-28)36(37,38)39/h3-13,18-21,23,31H,14-17,22,24H2,1-2H3
InChIKeyTXWVYXLFCOVLKK-UHFFFAOYSA-N
XLogP6.82
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.69
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4138583
3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 78769873
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555
3-amino-3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119952649
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 34376747
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4568629
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxybenzoate
CID 55397563
2-benzylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 4177185
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 5304428
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
(3S)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122152

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (CID 4522920) is 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is COc1cc(OC)cc(C(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cnc3c(OCc4ccccc4)cccn23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is TXWVYXLFCOVLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N4O4/c1-45-29-18-26(19-30(21-29)46-2)31(32-23-40-35-33(12-7-13-43(32)35)47-24-25-8-4-3-5-9-25)22-34(44)42-16-14-41(15-17-42)28-11-6-10-27(20-28)36(37,38)39/h3-13,18-21,23,31H,14-17,22,24H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 644.69 g/mol, XLogP of 6.82, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4522920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).