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

C24H21N3O3 — CID 90152753

IUPAC5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3O)c21
InChIInChI=1S/C24H21N3O3/c1-27-9-8-15-10-17(12-19(22(15)27)18-4-2-3-5-21(18)28)26-23-20(24(29)30)11-16(13-25-23)14-6-7-14/h2-5,8-14,28H,6-7H2,1H3,(H,25,26)(H,29,30)
InChIKeyJAXOMNIHCREPIS-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.27
Rot. Bonds5

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

5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90152753) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90152753
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3O)c21
InChIInChI=1S/C24H21N3O3/c1-27-9-8-15-10-17(12-19(22(15)27)18-4-2-3-5-21(18)28)26-23-20(24(29)30)11-16(13-25-23)14-6-7-14/h2-5,8-14,28H,6-7H2,1H3,(H,25,26)(H,29,30)
InChIKeyJAXOMNIHCREPIS-UHFFFAOYSA-N
XLogP5.27
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90153017
5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152726
2-[(7-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylic acid;2-[[7-(4-cyanophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid;ethane
CID 144619087
2-[(7-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylic acid;5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid;ethane
CID 144618949
5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153059
5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)amino]-7-phenylindole-1-carboxylic acid
CID 151546602
5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153179
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid
CID 144618968
5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90152926
2-[[7-(cyclohexen-1-yl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 158294578

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid (CID 90152753) is 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid is Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3O)c21.
What is the InChIKey of 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is JAXOMNIHCREPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-27-9-8-15-10-17(12-19(22(15)27)18-4-2-3-5-21(18)28)26-23-20(24(29)30)11-16(13-25-23)14-6-7-14/h2-5,8-14,28H,6-7H2,1H3,(H,25,26)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).