3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione

C21H14N4O4 — CID 71735026

IUPAC3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C21H14N4O4/c1-24-9-12(11-6-15-16(7-13(11)24)29-10-28-15)18-19(21(27)23-20(18)26)14-8-22-17-4-2-3-5-25(14)17/h2-9H,10H2,1H3,(H,23,26,27)
InChIKeyXEBRJGQKFLSEOH-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.12
Rot. Bonds2

About 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione

3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione (PubChem CID 71735026) has the molecular formula C21H14N4O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione
PubChem CID71735026
Molecular FormulaC21H14N4O4
Molecular Weight386.37 g/mol
Exact Mass386.10
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C21H14N4O4/c1-24-9-12(11-6-15-16(7-13(11)24)29-10-28-15)18-19(21(27)23-20(18)26)14-8-22-17-4-2-3-5-25(14)17/h2-9H,10H2,1H3,(H,23,26,27)
InChIKeyXEBRJGQKFLSEOH-UHFFFAOYSA-N
XLogP2.12
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione (CID 71735026) is 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione?
The InChIKey is XEBRJGQKFLSEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4/c1-24-9-12(11-6-15-16(7-13(11)24)29-10-28-15)18-19(21(27)23-20(18)26)14-8-22-17-4-2-3-5-25(14)17/h2-9H,10H2,1H3,(H,23,26,27).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione?
3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione has a molecular weight of 386.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione is sourced from PubChem (CID 71735026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).