1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid

C78H48F14N6O10 — CID 158023576

IUPAC1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(F)cc2F)c1.O=C(O)c1ccc2c(ccn2-c2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2c(ccn2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/3C16H10F3NO2.C15H9F3N2O2.C15H9F2NO2/c17-16(18,19)12-2-4-13(5-3-12)20-8-7-10-9-11(15(21)22)1-6-14(10)20;17-16(18,19)12-2-1-3-13(9-12)20-7-6-10-8-11(15(21)22)4-5-14(10)20;17-16(18,19)12-3-1-2-4-14(12)20-8-7-10-9-11(15(21)22)5-6-13(10)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-11-2-4-14(12(17)8-11)18-6-5-9-7-10(15(19)20)1-3-13(9)18/h3*1-9H,(H,21,22);1-8H,(H,21,22);1-8H,(H,19,20)
InChIKeyFGIPYZLJJQYYGK-UHFFFAOYSA-N
MW1495.25 g/mol
LogP20.39
Rot. Bonds10

About 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid

1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid (PubChem CID 158023576) has the molecular formula C78H48F14N6O10 and a molecular weight of 1495.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
PubChem CID158023576
Molecular FormulaC78H48F14N6O10
Molecular Weight1495.25 g/mol
Exact Mass1494.32
IUPAC Name1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(F)cc2F)c1.O=C(O)c1ccc2c(ccn2-c2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2c(ccn2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/3C16H10F3NO2.C15H9F3N2O2.C15H9F2NO2/c17-16(18,19)12-2-4-13(5-3-12)20-8-7-10-9-11(15(21)22)1-6-14(10)20;17-16(18,19)12-2-1-3-13(9-12)20-7-6-10-8-11(15(21)22)4-5-14(10)20;17-16(18,19)12-3-1-2-4-14(12)20-8-7-10-9-11(15(21)22)5-6-13(10)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-11-2-4-14(12(17)8-11)18-6-5-9-7-10(15(19)20)1-3-13(9)18/h3*1-9H,(H,21,22);1-8H,(H,21,22);1-8H,(H,19,20)
InChIKeyFGIPYZLJJQYYGK-UHFFFAOYSA-N
XLogP20.39
TPSA224.04 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001495.25
LogP ≤ 520.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid 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

1-[5-(Trifluoromethyl)pyridin-2-yl]indole-5-carboxylic acid
CID 59625842
1-(5-fluoropyridin-2-yl)-1H-indole-5-carboxylic acid
CID 59625936
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid
CID 91163902
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(3-fluorophenyl)indole-3-carboxylic acid;1-(4-fluorophenyl)indole-3-carboxylic acid;1-(5-fluoro-2-pyridinyl)indole-4-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid
CID 157160079
1-(5-Chloro-2-pyridinyl)indole-5-carboxylic acid;1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-phenylindazole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid
CID 157779012
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid
CID 157797980
3-(3-Fluorophenyl)-1-methylindole-6-carboxylic acid;3-(4-fluorophenyl)-1-methylindole-6-carboxylic acid;1-methyl-3-phenylindole-6-carboxylic acid;1-methyl-3-[4-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 158063960
1-(4,4-Difluorocyclohexyl)benzimidazole-5-carboxylic acid;1-ethylbenzimidazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 158313306
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158545391
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-fluorophenyl)indole-4-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158801024
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158884022

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid (CID 158023576) is 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(F)cc2F)c1.O=C(O)c1ccc2c(ccn2-c2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2c(ccn2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The InChIKey is FGIPYZLJJQYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H10F3NO2.C15H9F3N2O2.C15H9F2NO2/c17-16(18,19)12-2-4-13(5-3-12)20-8-7-10-9-11(15(21)22)1-6-14(10)20;17-16(18,19)12-2-1-3-13(9-12)20-7-6-10-8-11(15(21)22)4-5-14(10)20;17-16(18,19)12-3-1-2-4-14(12)20-8-7-10-9-11(15(21)22)5-6-13(10)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-11-2-4-14(12(17)8-11)18-6-5-9-7-10(15(19)20)1-3-13(9)18/h3*1-9H,(H,21,22);1-8H,(H,21,22);1-8H,(H,19,20).
What are the key properties of 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid has a molecular weight of 1495.25 g/mol, XLogP of 20.39, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)indole-5-carboxylic acid;1-[2-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[3-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 158023576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).