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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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).