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

C24H20FN3O2 — CID 90152727

IUPAC5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(F)c3)c21
InChIInChI=1S/C24H20FN3O2/c1-28-8-7-16-10-19(12-20(22(16)28)15-3-2-4-18(25)9-15)27-23-21(24(29)30)11-17(13-26-23)14-5-6-14/h2-4,7-14H,5-6H2,1H3,(H,26,27)(H,29,30)
InChIKeyBLTXTLKNUZVRKN-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.70
Rot. Bonds5

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

5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90152727) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90152727
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(F)c3)c21
InChIInChI=1S/C24H20FN3O2/c1-28-8-7-16-10-19(12-20(22(16)28)15-3-2-4-18(25)9-15)27-23-21(24(29)30)11-17(13-26-23)14-5-6-14/h2-4,7-14H,5-6H2,1H3,(H,26,27)(H,29,30)
InChIKeyBLTXTLKNUZVRKN-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

Analyze 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-2-((1-phenyl-1H-indol-5-yl)amino)nicotinic acid
CID 90152575
4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-yl]benzoic acid
CID 45269115
3-[5-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-1H-indol-3-yl]-4-fluorobenzoic acid
CID 145963307
6-(3-Cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid
CID 58437340
6-(3-Cyanoindol-1-yl)pyridine-3-carboxylic acid
CID 58437366
6-(3-Cyano-5-methylindol-1-yl)pyridine-3-carboxylic acid
CID 58437479
US9796708, Example 338
CID 90419661
9-[(4-Fluorophenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylic acid
CID 168283423
2-[[1-(Pyrimidin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172843497
US9969749, Example 1-37
CID 130446833
Methyl 9-[(2-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
CID 127025997
Methyl 9-[(4-fluorophenyl)methyl]pyrido[2,3-b]indole-3-carboxylate
CID 127025998

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid (CID 90152727) is 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid is Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccc(F)c3)c21.
What is the InChIKey of 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is BLTXTLKNUZVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-28-8-7-16-10-19(12-20(22(16)28)15-3-2-4-18(25)9-15)27-23-21(24(29)30)11-17(13-26-23)14-5-6-14/h2-4,7-14H,5-6H2,1H3,(H,26,27)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[7-(3-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-[[7-(3-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).