5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid

C25H21FN2O2 — CID 158388923

IUPAC5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3F)c21
InChIInChI=1S/C25H21FN2O2/c1-28-9-8-17-10-15(11-20(24(17)28)19-4-2-3-5-22(19)26)12-23-21(25(29)30)13-18(14-27-23)16-6-7-16/h2-5,8-11,13-14,16H,6-7,12H2,1H3,(H,29,30)
InChIKeyUJZQAFSZKNZTGU-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.55
Rot. Bonds5

About 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 158388923) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
PubChem CID158388923
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3F)c21
InChIInChI=1S/C25H21FN2O2/c1-28-9-8-17-10-15(11-20(24(17)28)19-4-2-3-5-22(19)26)12-23-21(25(29)30)13-18(14-27-23)16-6-7-16/h2-5,8-11,13-14,16H,6-7,12H2,1H3,(H,29,30)
InChIKeyUJZQAFSZKNZTGU-UHFFFAOYSA-N
XLogP5.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid (CID 158388923) is 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid is Cn1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3F)c21.
What is the InChIKey of 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UJZQAFSZKNZTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-28-9-8-17-10-15(11-20(24(17)28)19-4-2-3-5-22(19)26)12-23-21(25(29)30)13-18(14-27-23)16-6-7-16/h2-5,8-11,13-14,16H,6-7,12H2,1H3,(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 400.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[7-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158388923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).