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

C19H14FN5O — CID 164946207

IUPAC2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncccc34)o2)c2cc(F)ccc21
InChIInChI=1S/C19H14FN5O/c1-24-9-15(13-8-11(20)5-6-16(13)24)19-23-22-18(26-19)14-10-25(2)17-12(14)4-3-7-21-17/h3-10H,1-2H3
InChIKeyKOEVPKDDMLFGEX-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.92
Rot. Bonds2

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

2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole (PubChem CID 164946207) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
PubChem CID164946207
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncccc34)o2)c2cc(F)ccc21
InChIInChI=1S/C19H14FN5O/c1-24-9-15(13-8-11(20)5-6-16(13)24)19-23-22-18(26-19)14-10-25(2)17-12(14)4-3-7-21-17/h3-10H,1-2H3
InChIKeyKOEVPKDDMLFGEX-UHFFFAOYSA-N
XLogP3.92
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole (CID 164946207) is 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3cn(C)c4ncccc34)o2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
The InChIKey is KOEVPKDDMLFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-24-9-15(13-8-11(20)5-6-16(13)24)19-23-22-18(26-19)14-10-25(2)17-12(14)4-3-7-21-17/h3-10H,1-2H3.
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole has a molecular weight of 347.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 164946207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).