1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione

C23H17FN6O4 — CID 5279740

IUPAC1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2nccc3ccoc23)CC1)c1c[nH]c2c(-c3ncon3)ccc(F)c12
InChIInChI=1S/C23H17FN6O4/c24-16-2-1-14(21-27-12-34-28-21)18-17(16)15(11-26-18)19(31)23(32)30-8-6-29(7-9-30)22-20-13(3-5-25-22)4-10-33-20/h1-5,10-12,26H,6-9H2
InChIKeySJOIEVVQVXLAFD-UHFFFAOYSA-N
MW460.43 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione

1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 5279740) has the molecular formula C23H17FN6O4 and a molecular weight of 460.43 g/mol. Its IUPAC name is 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione
PubChem CID5279740
Molecular FormulaC23H17FN6O4
Molecular Weight460.43 g/mol
Exact Mass460.13
IUPAC Name1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2nccc3ccoc23)CC1)c1c[nH]c2c(-c3ncon3)ccc(F)c12
InChIInChI=1S/C23H17FN6O4/c24-16-2-1-14(21-27-12-34-28-21)18-17(16)15(11-26-18)19(31)23(32)30-8-6-29(7-9-30)22-20-13(3-5-25-22)4-10-33-20/h1-5,10-12,26H,6-9H2
InChIKeySJOIEVVQVXLAFD-UHFFFAOYSA-N
XLogP3.03
TPSA121.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione (CID 5279740) is 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCN(c2nccc3ccoc23)CC1)c1c[nH]c2c(-c3ncon3)ccc(F)c12.
What is the InChIKey of 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is SJOIEVVQVXLAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O4/c24-16-2-1-14(21-27-12-34-28-21)18-17(16)15(11-26-18)19(31)23(32)30-8-6-29(7-9-30)22-20-13(3-5-25-22)4-10-33-20/h1-5,10-12,26H,6-9H2.
What are the key properties of 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione?
1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 460.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 5279740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).