5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid

C23H20N4O2 — CID 90153017

IUPAC5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccnc3)c21
InChIInChI=1S/C23H20N4O2/c1-27-8-6-15-9-18(11-19(21(15)27)16-3-2-7-24-12-16)26-22-20(23(28)29)10-17(13-25-22)14-4-5-14/h2-3,6-14H,4-5H2,1H3,(H,25,26)(H,28,29)
InChIKeyWSXKJHYTZZKCJX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.95
Rot. Bonds5

About 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 90153017) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID90153017
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccnc3)c21
InChIInChI=1S/C23H20N4O2/c1-27-8-6-15-9-18(11-19(21(15)27)16-3-2-7-24-12-16)26-22-20(23(28)29)10-17(13-25-22)14-4-5-14/h2-3,6-14H,4-5H2,1H3,(H,25,26)(H,28,29)
InChIKeyWSXKJHYTZZKCJX-UHFFFAOYSA-N
XLogP4.95
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152753
2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
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
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
5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)amino]-7-phenylindole-1-carboxylic acid
CID 151546602
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153179
[5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]-3-pyridinyl]methanediol
CID 138500990
5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90152926
5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid
CID 144618968
2-[[7-(cyclohexen-1-yl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 158294578
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90153154

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid (CID 90153017) is 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid is Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3cccnc3)c21.
What is the InChIKey of 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is WSXKJHYTZZKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27-8-6-15-9-18(11-19(21(15)27)16-3-2-7-24-12-16)26-22-20(23(28)29)10-17(13-25-22)14-4-5-14/h2-3,6-14H,4-5H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90153017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).