3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid

C13H9N3O3 — CID 82482165

IUPAC3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
SMILESO=C1Cc2cc(-c3nccnc3C(=O)O)ccc2N1
InChIInChI=1S/C13H9N3O3/c17-10-6-8-5-7(1-2-9(8)16-10)11-12(13(18)19)15-4-3-14-11/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyVAMNXVWOMXVMRM-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.34
Rot. Bonds2

About 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid

3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid (PubChem CID 82482165) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
PubChem CID82482165
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
SMILESO=C1Cc2cc(-c3nccnc3C(=O)O)ccc2N1
InChIInChI=1S/C13H9N3O3/c17-10-6-8-5-7(1-2-9(8)16-10)11-12(13(18)19)15-4-3-14-11/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyVAMNXVWOMXVMRM-UHFFFAOYSA-N
XLogP1.34
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
3-(2-oxo-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 175778528
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815
5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
CID 84604694
4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116866952
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
2-[5-(2-oxo-1,3-dihydroindol-5-yl)-1,2-oxazol-3-yl]acetic acid
CID 82483292
5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175141162
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate
CID 122655444

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid (CID 82482165) is 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid is O=C1Cc2cc(-c3nccnc3C(=O)O)ccc2N1.
What is the InChIKey of 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid?
The InChIKey is VAMNXVWOMXVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-10-6-8-5-7(1-2-9(8)16-10)11-12(13(18)19)15-4-3-14-11/h1-5H,6H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid?
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 82482165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).