5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile

C23H20FN5O3 — CID 89102464

IUPAC5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCC(C)Oc1ncc(-c2nc(-c3ccc(F)c4c(CCC=O)cn(C)c34)no2)cc1C#N
InChIInChI=1S/C23H20FN5O3/c1-13(2)31-22-15(10-25)9-16(11-26-22)23-27-21(28-32-23)17-6-7-18(24)19-14(5-4-8-30)12-29(3)20(17)19/h6-9,11-13H,4-5H2,1-3H3
InChIKeyFIAIEUJEDXBEGS-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.22
Rot. Bonds7

About 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile

5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile (PubChem CID 89102464) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
PubChem CID89102464
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCC(C)Oc1ncc(-c2nc(-c3ccc(F)c4c(CCC=O)cn(C)c34)no2)cc1C#N
InChIInChI=1S/C23H20FN5O3/c1-13(2)31-22-15(10-25)9-16(11-26-22)23-27-21(28-32-23)17-6-7-18(24)19-14(5-4-8-30)12-29(3)20(17)19/h6-9,11-13H,4-5H2,1-3H3
InChIKeyFIAIEUJEDXBEGS-UHFFFAOYSA-N
XLogP4.22
TPSA106.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile (CID 89102464) is 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile is CC(C)Oc1ncc(-c2nc(-c3ccc(F)c4c(CCC=O)cn(C)c34)no2)cc1C#N.
What is the InChIKey of 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?
The InChIKey is FIAIEUJEDXBEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-13(2)31-22-15(10-25)9-16(11-26-22)23-27-21(28-32-23)17-6-7-18(24)19-14(5-4-8-30)12-29(3)20(17)19/h6-9,11-13H,4-5H2,1-3H3.
What are the key properties of 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?
5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile has a molecular weight of 433.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-fluoro-1-methyl-3-(3-oxopropyl)indol-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 89102464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).