methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate

C25H24F6N2O3 — CID 90072110

IUPACmethyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate
SMILESCCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc2cc(C(=O)OC)c(C(C)C)cc21
InChIInChI=1S/C25H24F6N2O3/c1-5-33-19-12-17(13(2)3)18(23(35)36-4)10-15(19)11-20(33)22(34)32-21(25(29,30)31)14-7-6-8-16(9-14)24(26,27)28/h6-13,21H,5H2,1-4H3,(H,32,34)
InChIKeyCAHMQYAKHOGEBT-UHFFFAOYSA-N
MW514.47 g/mol
LogP6.62
Rot. Bonds6

About methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate

methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate (PubChem CID 90072110) has the molecular formula C25H24F6N2O3 and a molecular weight of 514.47 g/mol. Its IUPAC name is methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate
PubChem CID90072110
Molecular FormulaC25H24F6N2O3
Molecular Weight514.47 g/mol
Exact Mass514.17
IUPAC Namemethyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate
SMILESCCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc2cc(C(=O)OC)c(C(C)C)cc21
InChIInChI=1S/C25H24F6N2O3/c1-5-33-19-12-17(13(2)3)18(23(35)36-4)10-15(19)11-20(33)22(34)32-21(25(29,30)31)14-7-6-8-16(9-14)24(26,27)28/h6-13,21H,5H2,1-4H3,(H,32,34)
InChIKeyCAHMQYAKHOGEBT-UHFFFAOYSA-N
XLogP6.62
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate 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

6-chloro-1-ethyl-5-N-propan-2-yl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,3-b]pyridine-2,5-dicarboxamide
CID 118287416
5-(acetamidomethyl)-6-chloro-1-ethyl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]indole-2-carboxamide
CID 86713979
6-chloro-1-ethyl-5-N-propyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,3-b]pyridine-2,5-dicarboxamide
CID 118287420
6-chloro-2-[[1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]carbamoyl]-1-ethylindole-5-carboxylic acid
CID 90072228
1-ethyl-6-methyl-2-[[2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethyl]carbamoyl]indole-5-carboxylic acid
CID 90072294
6-chloro-5-N-cyclopropyl-1-methyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,3-b]pyridine-2,5-dicarboxamide
CID 118287441
6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 141437359
6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
CID 86713982
6-chloro-5-N-cyclopropyl-1-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide;6-chloro-5-N-cyclopropyl-3-ethyl-2-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]benzimidazole-2,5-dicarboxamide
CID 159204713
[2-[[1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethyl]carbamoyl]-1-ethyl-6-methylindol-5-yl] hydrogen carbonate
CID 88924645
1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide
CID 56519892
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate?
The IUPAC name of methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate (CID 90072110) is methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate is CCn1c(C(=O)NC(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc2cc(C(=O)OC)c(C(C)C)cc21.
What is the InChIKey of methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate?
The InChIKey is CAHMQYAKHOGEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6N2O3/c1-5-33-19-12-17(13(2)3)18(23(35)36-4)10-15(19)11-20(33)22(34)32-21(25(29,30)31)14-7-6-8-16(9-14)24(26,27)28/h6-13,21H,5H2,1-4H3,(H,32,34).
What are the key properties of methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate?
methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate has a molecular weight of 514.47 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate is sourced from PubChem (CID 90072110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).