3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one

C20H12N4O4 — CID 3373653

IUPAC3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1nc(O)c(-c2c(O)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C20H12N4O4/c25-17-13(9-5-1-3-7-11(9)21-17)15-19(27)24-16(20(28)23-15)14-10-6-2-4-8-12(10)22-18(14)26/h1-8,21,25H,(H,23,28)(H,24,27)
InChIKeyHZIDOXXFMJZONB-UHFFFAOYSA-N
MW372.34 g/mol
LogP0.69
Rot. Bonds2

About 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one

3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one (PubChem CID 3373653) has the molecular formula C20H12N4O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one.

Molecular Properties

Compound Name3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one
PubChem CID3373653
Molecular FormulaC20H12N4O4
Molecular Weight372.34 g/mol
Exact Mass372.09
IUPAC Name3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1nc(O)c(-c2c(O)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C20H12N4O4/c25-17-13(9-5-1-3-7-11(9)21-17)15-19(27)24-16(20(28)23-15)14-10-6-2-4-8-12(10)22-18(14)26/h1-8,21,25H,(H,23,28)(H,24,27)
InChIKeyHZIDOXXFMJZONB-UHFFFAOYSA-N
XLogP0.69
TPSA131.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
CID 10177
MEK inhibitor
CID 135742497
(Z)-3-(((3-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
CID 135398492
Indirubin deriv. 8h
CID 135434954
Indirubin deriv. 9b
CID 135434955
(Z)-3-((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide
CID 135659062
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837
4-[(E)-2-[(6E)-6-[(2-hydroxy-1H-indol-3-yl)methylidene]indazol-3-yl]ethenyl]benzoic acid
CID 135988944
3-(anilinomethylidene)-1H-indol-2-one
CID 417125
Indirubin deriv. 8c
CID 135434958
Indirubin deriv. 8i
CID 135434959

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one?
The IUPAC name of 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one (CID 3373653) is 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one.
What is the SMILES notation for 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one?
The canonical SMILES for 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one is O=C1N=c2ccccc2=C1c1nc(O)c(-c2c(O)[nH]c3ccccc23)[nH]c1=O.
What is the InChIKey of 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one?
The InChIKey is HZIDOXXFMJZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O4/c25-17-13(9-5-1-3-7-11(9)21-17)15-19(27)24-16(20(28)23-15)14-10-6-2-4-8-12(10)22-18(14)26/h1-8,21,25H,(H,23,28)(H,24,27).
What are the key properties of 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one?
3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one has a molecular weight of 372.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-6-(2-hydroxy-1H-indol-3-yl)-2-oxo-1H-pyrazin-3-yl]indol-2-one is sourced from PubChem (CID 3373653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).