3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide

C24H22BrF3N4O4S — CID 67823226

IUPAC3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide
SMILESCCc1nc(CC)n(Cc2c3ccocc-3c(Br)c2-c2ccccc2NS(=O)(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C24H22BrF3N4O4S/c1-3-17-22(23(29)33)32(19(4-2)30-17)11-15-13-9-10-36-12-16(13)21(25)20(15)14-7-5-6-8-18(14)31-37(34,35)24(26,27)28/h5-10,12,31H,3-4,11H2,1-2H3,(H2,29,33)
InChIKeyWZYNKFCYBJBGFW-UHFFFAOYSA-N
MW599.43 g/mol
LogP5.54
Rot. Bonds8

About 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide

3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide (PubChem CID 67823226) has the molecular formula C24H22BrF3N4O4S and a molecular weight of 599.43 g/mol. Its IUPAC name is 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide
PubChem CID67823226
Molecular FormulaC24H22BrF3N4O4S
Molecular Weight599.43 g/mol
Exact Mass598.05
IUPAC Name3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide
SMILESCCc1nc(CC)n(Cc2c3ccocc-3c(Br)c2-c2ccccc2NS(=O)(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C24H22BrF3N4O4S/c1-3-17-22(23(29)33)32(19(4-2)30-17)11-15-13-9-10-36-12-16(13)21(25)20(15)14-7-5-6-8-18(14)31-37(34,35)24(26,27)28/h5-10,12,31H,3-4,11H2,1-2H3,(H2,29,33)
InChIKeyWZYNKFCYBJBGFW-UHFFFAOYSA-N
XLogP5.54
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.43
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-ethylimidazole-4-carboxamide
CID 67892958
3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-(dimethylamino)-N,2-diethylimidazole-4-carboxamide
CID 67893062
3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 67822985
3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-N,2-diethylimidazo[4,5-b]pyridine-5-carboxamide
CID 67824777
3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-ethoxy-N-ethyl-5-methylimidazole-4-carboxamide
CID 67620965
3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 67825032
3-[[7-bromo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopenta[c]pyran-5-yl]methyl]-2-ethyl-5-methylimidazole-4-carboxylic acid
CID 67904390
3-[[7-bromo-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carboxylic acid
CID 67823257
3-[[6-(2-aminophenyl)-7-bromocyclopenta[c]pyran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxamide
CID 67822753
ethyl 3-[[6-(2-aminophenyl)-7-bromocyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carboxylate
CID 67823033
3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-N,2,5-triethylimidazole-4-carboxamide
CID 67904562
methyl 2-[[3-[[7-bromo-6-[2-(2H-tetrazol-5-yl)phenyl]cyclopenta[c]pyran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carbonyl]amino]acetate
CID 67907767

Frequently Asked Questions

What is the IUPAC name of 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide?
The IUPAC name of 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide (CID 67823226) is 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide.
What is the SMILES notation for 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide?
The canonical SMILES for 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide is CCc1nc(CC)n(Cc2c3ccocc-3c(Br)c2-c2ccccc2NS(=O)(=O)C(F)(F)F)c1C(N)=O.
What is the InChIKey of 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide?
The InChIKey is WZYNKFCYBJBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrF3N4O4S/c1-3-17-22(23(29)33)32(19(4-2)30-17)11-15-13-9-10-36-12-16(13)21(25)20(15)14-7-5-6-8-18(14)31-37(34,35)24(26,27)28/h5-10,12,31H,3-4,11H2,1-2H3,(H2,29,33).
What are the key properties of 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide?
3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide has a molecular weight of 599.43 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-bromo-6-[2-(trifluoromethylsulfonylamino)phenyl]cyclopenta[c]pyran-5-yl]methyl]-2,5-diethylimidazole-4-carboxamide is sourced from PubChem (CID 67823226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).