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

C24H20FN3O2 — CID 90152871

IUPAC5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1cc(-c2ccccc2F)c2cc(Nc3ncc(C4CC4)cc3C(=O)O)ccc21
InChIInChI=1S/C24H20FN3O2/c1-28-13-20(17-4-2-3-5-21(17)25)18-11-16(8-9-22(18)28)27-23-19(24(29)30)10-15(12-26-23)14-6-7-14/h2-5,8-14H,6-7H2,1H3,(H,26,27)(H,29,30)
InChIKeyDVQHFXKHAYUGIU-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.70
Rot. Bonds5

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

5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90152871) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90152871
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1cc(-c2ccccc2F)c2cc(Nc3ncc(C4CC4)cc3C(=O)O)ccc21
InChIInChI=1S/C24H20FN3O2/c1-28-13-20(17-4-2-3-5-21(17)25)18-11-16(8-9-22(18)28)27-23-19(24(29)30)10-15(12-26-23)14-6-7-14/h2-5,8-14H,6-7H2,1H3,(H,26,27)(H,29,30)
InChIKeyDVQHFXKHAYUGIU-UHFFFAOYSA-N
XLogP5.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid (CID 90152871) is 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid is Cn1cc(-c2ccccc2F)c2cc(Nc3ncc(C4CC4)cc3C(=O)O)ccc21.
What is the InChIKey of 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is DVQHFXKHAYUGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-28-13-20(17-4-2-3-5-21(17)25)18-11-16(8-9-22(18)28)27-23-19(24(29)30)10-15(12-26-23)14-6-7-14/h2-5,8-14H,6-7H2,1H3,(H,26,27)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 401.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).