3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione

C19H12ClN5O2 — CID 118727275

IUPAC3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H12ClN5O2/c1-24-9-12(11-6-5-10(20)8-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27)
InChIKeyWFOPRVMQCYVSQS-UHFFFAOYSA-N
MW377.79 g/mol
LogP2.44
Rot. Bonds2

About 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione

3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 118727275) has the molecular formula C19H12ClN5O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID118727275
Molecular FormulaC19H12ClN5O2
Molecular Weight377.79 g/mol
Exact Mass377.07
IUPAC Name3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccc(Cl)cc21
InChIInChI=1S/C19H12ClN5O2/c1-24-9-12(11-6-5-10(20)8-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27)
InChIKeyWFOPRVMQCYVSQS-UHFFFAOYSA-N
XLogP2.44
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione 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

1-(5-Chloro-2-Methylphenyl)-4-(Pyrrolo[2,1-F][1,2,4]triazin-4-Yl)-1h-Pyrrole-2-Carboxamide
CID 118129292
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
1-(5-Chloro-2-ethylphenyl)-4-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-2-carboxamide
CID 73057444
3-[6-Chloro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451166
3-(1-Butylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 141451167
3-(1-Ethylpyrazolo[5,4-b]pyridin-3-yl)-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 141451170
3-[6-Fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451172
3-[1-(3-Imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451182
3-[1-(3-Imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451185
3-[5-Fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451189
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551958
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551959

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione (CID 118727275) is 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3nnc4ccccn34)C(=O)NC2=O)c2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is WFOPRVMQCYVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O2/c1-24-9-12(11-6-5-10(20)8-13(11)24)15-16(19(27)21-18(15)26)17-23-22-14-4-2-3-7-25(14)17/h2-9H,1H3,(H,21,26,27).
What are the key properties of 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione?
3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 377.79 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 118727275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).