3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one

C20H13N3O3 — CID 135465957

IUPAC3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1[13c]1[13cH]c(-c2c[nH]c3ccc(O)cc23)[nH]c1O
InChIInChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H/i8+1,13+1
InChIKeySHLJIZCPRXXHHZ-GWDQYNOCSA-N
MW345.33 g/mol
LogP1.93
Rot. Bonds2

About 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one

3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one (PubChem CID 135465957) has the molecular formula C20H13N3O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one
PubChem CID135465957
Molecular FormulaC20H13N3O3
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1[13c]1[13cH]c(-c2c[nH]c3ccc(O)cc23)[nH]c1O
InChIInChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H/i8+1,13+1
InChIKeySHLJIZCPRXXHHZ-GWDQYNOCSA-N
XLogP1.93
TPSA101.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
CID 135460761
3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one
CID 135474760
6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
CID 135891515
5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
CID 82386599
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
CID 89275643
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
CID 59364245
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 136985897
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
CID 136630936
3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
CID 59364271
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one?
The IUPAC name of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one (CID 135465957) is 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one.
What is the SMILES notation for 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one?
The canonical SMILES for 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one is O=C1N=c2ccccc2=C1[13c]1[13cH]c(-c2c[nH]c3ccc(O)cc23)[nH]c1O.
What is the InChIKey of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one?
The InChIKey is SHLJIZCPRXXHHZ-GWDQYNOCSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H/i8+1,13+1.
What are the key properties of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one?
3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one has a molecular weight of 345.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one is sourced from PubChem (CID 135465957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).