3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C20H13ClN4O2 — CID 69407884

IUPAC3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3n[nH]c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H13ClN4O2/c1-25-9-13(11-4-2-3-5-15(11)25)16-17(20(27)22-19(16)26)18-12-8-10(21)6-7-14(12)23-24-18/h2-9H,1H3,(H,23,24)(H,22,26,27)
InChIKeyXNYHQPFTKAXQET-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.28
Rot. Bonds2

About 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 69407884) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID69407884
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3n[nH]c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C20H13ClN4O2/c1-25-9-13(11-4-2-3-5-15(11)25)16-17(20(27)22-19(16)26)18-12-8-10(21)6-7-14(12)23-24-18/h2-9H,1H3,(H,23,24)(H,22,26,27)
InChIKeyXNYHQPFTKAXQET-UHFFFAOYSA-N
XLogP3.28
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 69407884) is 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3n[nH]c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is XNYHQPFTKAXQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c1-25-9-13(11-4-2-3-5-15(11)25)16-17(20(27)22-19(16)26)18-12-8-10(21)6-7-14(12)23-24-18/h2-9H,1H3,(H,23,24)(H,22,26,27).
What are the key properties of 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 376.80 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 69407884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).