1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid

C23H19FN2O3 — CID 58132226

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid
SMILESCOc1ncccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(C)cc12
InChIInChI=1S/C23H19FN2O3/c1-14-9-10-19-17(12-14)20(16-7-5-11-25-22(16)29-2)21(23(27)28)26(19)13-15-6-3-4-8-18(15)24/h3-12H,13H2,1-2H3,(H,27,28)
InChIKeyJOTSAVPUUPTKPG-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.91
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid

1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid (PubChem CID 58132226) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid
PubChem CID58132226
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid
SMILESCOc1ncccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(C)cc12
InChIInChI=1S/C23H19FN2O3/c1-14-9-10-19-17(12-14)20(16-7-5-11-25-22(16)29-2)21(23(27)28)26(19)13-15-6-3-4-8-18(15)24/h3-12H,13H2,1-2H3,(H,27,28)
InChIKeyJOTSAVPUUPTKPG-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[Ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
CID 146627093
5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindole-2-carboxylic acid
CID 76325640
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(6-methoxy-pyridin-3-yl)-1H-indole-6-carboxylic acid
CID 6480930
2-methoxy-5-{4-[1-(2-methoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}benzoic acid
CID 9979651
5-{4-[6-fluoro-1-(2-methoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}-2-methoxybenzoic acid
CID 10003369
3-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10273238
5-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-2-methoxy-benzoic acid
CID 10409896
1-(3-(4-Octylphenoxy)-2-oxopropyl)indole-5-carboxylic acid
CID 11690325
3-[4-(1-Furan-3-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid
CID 17964355
1-[(4-methoxyphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 56950715
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 56950716
4-(3-Ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid (CID 58132226) is 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid is COc1ncccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(C)cc12.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid?
The InChIKey is JOTSAVPUUPTKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-14-9-10-19-17(12-14)20(16-7-5-11-25-22(16)29-2)21(23(27)28)26(19)13-15-6-3-4-8-18(15)24/h3-12H,13H2,1-2H3,(H,27,28).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid?
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid has a molecular weight of 390.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid is sourced from PubChem (CID 58132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).