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

C24H19F4N3O5S — CID 67954030

IUPACmethyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccc(F)cn3c2C)cc1
InChIInChI=1S/C24H19F4N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3
InChIKeyZHIGCHYUOLYTQB-UHFFFAOYSA-N
MW537.49 g/mol
LogP4.86
Rot. Bonds7

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

methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 67954030) has the molecular formula C24H19F4N3O5S and a molecular weight of 537.49 g/mol. Its IUPAC name is methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
PubChem CID67954030
Molecular FormulaC24H19F4N3O5S
Molecular Weight537.49 g/mol
Exact Mass537.10
IUPAC Namemethyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccc(F)cn3c2C)cc1
InChIInChI=1S/C24H19F4N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3
InChIKeyZHIGCHYUOLYTQB-UHFFFAOYSA-N
XLogP4.86
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
[3-(Benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
CID 52947946
[1-(4-Fluoro-3-methoxy-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
CID 45268524
2,6-difluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 3588218
4-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226617
4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
CID 155568966
N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57377518
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57377845
N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57377950
Methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate
CID 57378058
Methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate
CID 57378059

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (CID 67954030) is methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccc(F)cn3c2C)cc1.
What is the InChIKey of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The InChIKey is ZHIGCHYUOLYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
methyl 4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 537.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 67954030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).