3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C14H13ClN4O3 — CID 168556170

IUPAC3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCn1cc2cc(NC3=CC(=O)N(CCO)C3=O)c(Cl)cc2n1
InChIInChI=1S/C14H13ClN4O3/c1-18-7-8-4-11(9(15)5-10(8)17-18)16-12-6-13(21)19(2-3-20)14(12)22/h4-7,16,20H,2-3H2,1H3
InChIKeyMFIRKEOMPOLHFY-UHFFFAOYSA-N
MW320.74 g/mol
LogP0.88
Rot. Bonds4

About 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168556170) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168556170
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCn1cc2cc(NC3=CC(=O)N(CCO)C3=O)c(Cl)cc2n1
InChIInChI=1S/C14H13ClN4O3/c1-18-7-8-4-11(9(15)5-10(8)17-18)16-12-6-13(21)19(2-3-20)14(12)22/h4-7,16,20H,2-3H2,1H3
InChIKeyMFIRKEOMPOLHFY-UHFFFAOYSA-N
XLogP0.88
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168556170) is 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is Cn1cc2cc(NC3=CC(=O)N(CCO)C3=O)c(Cl)cc2n1.
What is the InChIKey of 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is MFIRKEOMPOLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-18-7-8-4-11(9(15)5-10(8)17-18)16-12-6-13(21)19(2-3-20)14(12)22/h4-7,16,20H,2-3H2,1H3.
What are the key properties of 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 320.74 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methylindazol-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168556170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).