3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione

C22H17N3O4 — CID 118704646

IUPAC3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1coc2ncccc12
InChIInChI=1S/C22H17N3O4/c26-10-4-9-25-11-15(13-5-1-2-7-17(13)25)18-19(21(28)24-20(18)27)16-12-29-22-14(16)6-3-8-23-22/h1-3,5-8,11-12,26H,4,9-10H2,(H,24,27,28)
InChIKeyLVVMRPGCGXOGOD-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.73
Rot. Bonds5

About 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione

3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 118704646) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID118704646
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1coc2ncccc12
InChIInChI=1S/C22H17N3O4/c26-10-4-9-25-11-15(13-5-1-2-7-17(13)25)18-19(21(28)24-20(18)27)16-12-29-22-14(16)6-3-8-23-22/h1-3,5-8,11-12,26H,4,9-10H2,(H,24,27,28)
InChIKeyLVVMRPGCGXOGOD-UHFFFAOYSA-N
XLogP2.73
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione with MolForge

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Related Compounds

3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
3-(5-methoxybenzofuran-7-yl)-4-(1-(2-(4-methylpiperazin-1-yl)ethyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 44219658
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxymethylbenzofuran-3-yl)pyrrole-2,5-dione
CID 44582642
3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582838
3-Benzofuran-3-yl-4-(5-iodo-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 24991573
3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5d)
CID 118704633
3-(6-Fluoro-1-methyl-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5e)
CID 118704634
3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5n)
CID 118704643
3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582855
3-(1-Benzofuran-3-yl)-4-[10-(2-pyridin-4-ylacetyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
CID 71733739
3-(benzofuran-3-yl)-4-(6-hydroxy-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 16741476

Frequently Asked Questions

What is the IUPAC name of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione (CID 118704646) is 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1coc2ncccc12.
What is the InChIKey of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is LVVMRPGCGXOGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-10-4-9-25-11-15(13-5-1-2-7-17(13)25)18-19(21(28)24-20(18)27)16-12-29-22-14(16)6-3-8-23-22/h1-3,5-8,11-12,26H,4,9-10H2,(H,24,27,28).
What are the key properties of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione?
3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 387.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 118704646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).