4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid

C22H14N4O2 — CID 72545025

IUPAC4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1
InChIInChI=1S/C22H14N4O2/c27-22(28)14-3-1-13(2-4-14)20-12-24-19-10-17(11-25-21(19)26-20)15-5-6-18-16(9-15)7-8-23-18/h1-12,23H,(H,27,28)
InChIKeyKHIFNZDHIWFLBD-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.54
Rot. Bonds3

About 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid

4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid (PubChem CID 72545025) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
PubChem CID72545025
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1
InChIInChI=1S/C22H14N4O2/c27-22(28)14-3-1-13(2-4-14)20-12-24-19-10-17(11-25-21(19)26-20)15-5-6-18-16(9-15)7-8-23-18/h1-12,23H,(H,27,28)
InChIKeyKHIFNZDHIWFLBD-UHFFFAOYSA-N
XLogP4.54
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzamide
CID 72545992
4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 72545990
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382
1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
4-(1H-indol-5-yloxy)benzoic acid
CID 129206286
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
7-(1-methylindol-5-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 72544580
3-phenyl-7-pyridin-3-ylpyrido[2,3-b]pyrazine
CID 72544350
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803

Frequently Asked Questions

What is the IUPAC name of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
The IUPAC name of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid (CID 72545025) is 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
The canonical SMILES for 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3cc(-c4ccc5[nH]ccc5c4)cnc3n2)cc1.
What is the InChIKey of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
The InChIKey is KHIFNZDHIWFLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-22(28)14-3-1-13(2-4-14)20-12-24-19-10-17(11-25-21(19)26-20)15-5-6-18-16(9-15)7-8-23-18/h1-12,23H,(H,27,28).
What are the key properties of 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid has a molecular weight of 366.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1H-indol-5-yl)pyrido[2,3-b]pyrazin-3-yl]benzoic acid is sourced from PubChem (CID 72545025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).