methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate

C24H18F5N3O4S — CID 67953986

IUPACmethyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2nc3ccc(F)cn3c2C)cc1
InChIInChI=1S/C24H18F5N3O4S/c1-14-22(30-21-10-6-17(25)13-31(14)21)32(12-15-3-9-20(26)19(11-15)24(27,28)29)37(34,35)18-7-4-16(5-8-18)23(33)36-2/h3-11,13H,12H2,1-2H3
InChIKeyIXPZBMVDALRIAD-UHFFFAOYSA-N
MW539.48 g/mol
LogP5.12
Rot. Bonds6

About methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate

methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 67953986) has the molecular formula C24H18F5N3O4S and a molecular weight of 539.48 g/mol. Its IUPAC name is methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate
PubChem CID67953986
Molecular FormulaC24H18F5N3O4S
Molecular Weight539.48 g/mol
Exact Mass539.09
IUPAC Namemethyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2nc3ccc(F)cn3c2C)cc1
InChIInChI=1S/C24H18F5N3O4S/c1-14-22(30-21-10-6-17(25)13-31(14)21)32(12-15-3-9-20(26)19(11-15)24(27,28)29)37(34,35)18-7-4-16(5-8-18)23(33)36-2/h3-11,13H,12H2,1-2H3
InChIKeyIXPZBMVDALRIAD-UHFFFAOYSA-N
XLogP5.12
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate (CID 67953986) is methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2nc3ccc(F)cn3c2C)cc1.
What is the InChIKey of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate?
The InChIKey is IXPZBMVDALRIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O4S/c1-14-22(30-21-10-6-17(25)13-31(14)21)32(12-15-3-9-20(26)19(11-15)24(27,28)29)37(34,35)18-7-4-16(5-8-18)23(33)36-2/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate?
methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 539.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 67953986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).