[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone

C20H14FN5O2 — CID 164946190

IUPAC[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCn1cc(-c2noc(C(=O)c3cn(C)c4ncccc34)n2)c2cc(F)ccc21
InChIInChI=1S/C20H14FN5O2/c1-25-10-15(13-8-11(21)5-6-16(13)25)18-23-20(28-24-18)17(27)14-9-26(2)19-12(14)4-3-7-22-19/h3-10H,1-2H3
InChIKeyQJEHJDWSLAZWGS-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.49
Rot. Bonds3

About [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone

[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 164946190) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID164946190
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Name[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCn1cc(-c2noc(C(=O)c3cn(C)c4ncccc34)n2)c2cc(F)ccc21
InChIInChI=1S/C20H14FN5O2/c1-25-10-15(13-8-11(21)5-6-16(13)25)18-23-20(28-24-18)17(27)14-9-26(2)19-12(14)4-3-7-22-19/h3-10H,1-2H3
InChIKeyQJEHJDWSLAZWGS-UHFFFAOYSA-N
XLogP3.49
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone (CID 164946190) is [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone is Cn1cc(-c2noc(C(=O)c3cn(C)c4ncccc34)n2)c2cc(F)ccc21.
What is the InChIKey of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is QJEHJDWSLAZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c1-25-10-15(13-8-11(21)5-6-16(13)25)18-23-20(28-24-18)17(27)14-9-26(2)19-12(14)4-3-7-22-19/h3-10H,1-2H3.
What are the key properties of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 375.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 164946190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).