methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate

C20H14F3N3O3S — CID 68766326

IUPACmethyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N3O3S/c1-28-19(27)18-16(29-10-12-3-2-4-13(7-12)20(21,22)23)8-17(30-18)26-11-25-14-5-6-24-9-15(14)26/h2-9,11H,10H2,1H3
InChIKeyCMAWQHPVIUDXII-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.87
Rot. Bonds5

About methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate

methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate (PubChem CID 68766326) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
PubChem CID68766326
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Namemethyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N3O3S/c1-28-19(27)18-16(29-10-12-3-2-4-13(7-12)20(21,22)23)8-17(30-18)26-11-25-14-5-6-24-9-15(14)26/h2-9,11H,10H2,1H3
InChIKeyCMAWQHPVIUDXII-UHFFFAOYSA-N
XLogP4.87
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate with MolForge

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Related Compounds

5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
CID 68764198
methyl 5-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxylate
CID 57431293
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 11743086
methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 76582610
methyl 5-[6-(2,2-dimethylpropanoyloxymethyl)benzimidazol-1-yl]-3-[(1R)-1-(2-methylphenyl)ethoxy]thiophene-2-carboxylate
CID 143424705
methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate
CID 76582596
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
methyl 5-[5-(2-amino-4-pyridinyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 69246834
3-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methoxy]-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 24830198
methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate
CID 68765391
methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate
CID 8928494
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate (CID 68766326) is methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate is COC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
The InChIKey is CMAWQHPVIUDXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-28-19(27)18-16(29-10-12-3-2-4-13(7-12)20(21,22)23)8-17(30-18)26-11-25-14-5-6-24-9-15(14)26/h2-9,11H,10H2,1H3.
What are the key properties of methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate has a molecular weight of 433.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-imidazo[4,5-c]pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate is sourced from PubChem (CID 68766326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).