3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate

C21H14N3O3- — CID 136630936

IUPAC3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
SMILESO=C([O-])c1[nH]c(-c2c[nH]c3ccccc23)cc1-c1c(O)[nH]c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1
InChIKeyYNGCGCMGWQFYIK-UHFFFAOYSA-M
MW356.36 g/mol
LogP3.38
Rot. Bonds3

About 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate

3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate (PubChem CID 136630936) has the molecular formula C21H14N3O3- and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
PubChem CID136630936
Molecular FormulaC21H14N3O3-
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
SMILESO=C([O-])c1[nH]c(-c2c[nH]c3ccccc23)cc1-c1c(O)[nH]c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1
InChIKeyYNGCGCMGWQFYIK-UHFFFAOYSA-M
XLogP3.38
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 1H-indole-3-carboxylate
CID 23698293
3-bromo-1H-indole-2-carboxylate
CID 2325687
4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
CID 116879571
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878761
2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 87286726

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate (CID 136630936) is 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate is O=C([O-])c1[nH]c(-c2c[nH]c3ccccc23)cc1-c1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is YNGCGCMGWQFYIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1.
What are the key properties of 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate?
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 356.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 136630936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).