4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid

C25H20N2O5S — CID 135467922

IUPAC4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(C(=O)c2c[nH]c3c(CCCO)cccc23)c(O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C25H20N2O5S/c28-10-4-6-13-5-3-8-15-17(12-27-20(13)15)21(29)24-22(30)19(23(33-24)25(31)32)16-11-26-18-9-2-1-7-14(16)18/h1-3,5,7-9,11-12,26-28,30H,4,6,10H2,(H,31,32)
InChIKeyODKZHURPICWTCG-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.94
Rot. Bonds7

About 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid

4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid (PubChem CID 135467922) has the molecular formula C25H20N2O5S and a molecular weight of 460.51 g/mol. Its IUPAC name is 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid
PubChem CID135467922
Molecular FormulaC25H20N2O5S
Molecular Weight460.51 g/mol
Exact Mass460.11
IUPAC Name4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(C(=O)c2c[nH]c3c(CCCO)cccc23)c(O)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C25H20N2O5S/c28-10-4-6-13-5-3-8-15-17(12-27-20(13)15)21(29)24-22(30)19(23(33-24)25(31)32)16-11-26-18-9-2-1-7-14(16)18/h1-3,5,7-9,11-12,26-28,30H,4,6,10H2,(H,31,32)
InChIKeyODKZHURPICWTCG-UHFFFAOYSA-N
XLogP4.94
TPSA126.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid 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-hydroxy-2-(1H-indol-3-ylmethyl)-8-(3-thienyl)quinoline-4-carboxylic acid
CID 16100168
3-(2-cyclopropyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107649
3-(6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107654
3-(2-cyclopropyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107659
3-(2-cyclopropyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-methyl-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107680
3-(6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-(4-hydroxy-3-methylbutyl)-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107683
3-(2-cyclopropyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-4-methyl-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107694
3-(6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136107704
3-(6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-(4-hydroxy-3-methylbut-2-enyl)-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136625757
3-(2-cyclopropyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-(4-hydroxy-3-methylbut-2-enyl)-4-methyl-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136655303
3-(2-cyclopropyl-6-fluoro-1H-indol-3-yl)-4-hydroxy-5-[7-(4-hydroxy-3-methylbut-2-enyl)-1H-indole-3-carbonyl]thiophene-2-carboxylic acid
CID 136658345
4-hydroxy-5-[7-(3-hydroxy-2-methylpropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid
CID 135399775

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid (CID 135467922) is 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid is O=C(O)c1sc(C(=O)c2c[nH]c3c(CCCO)cccc23)c(O)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid?
The InChIKey is ODKZHURPICWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5S/c28-10-4-6-13-5-3-8-15-17(12-27-20(13)15)21(29)24-22(30)19(23(33-24)25(31)32)16-11-26-18-9-2-1-7-14(16)18/h1-3,5,7-9,11-12,26-28,30H,4,6,10H2,(H,31,32).
What are the key properties of 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid?
4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid has a molecular weight of 460.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[7-(3-hydroxypropyl)-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 135467922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).