4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

C15H15N5O2 — CID 166283359

IUPAC4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCC1CC(=O)NCC1c1nc(-c2ccnc3[nH]ccc23)no1
InChIInChI=1S/C15H15N5O2/c1-8-6-12(21)18-7-11(8)15-19-14(20-22-15)10-3-5-17-13-9(10)2-4-16-13/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H,18,21)
InChIKeyWJGPJIKCHNWGJH-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.85
Rot. Bonds2

About 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 166283359) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID166283359
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCC1CC(=O)NCC1c1nc(-c2ccnc3[nH]ccc23)no1
InChIInChI=1S/C15H15N5O2/c1-8-6-12(21)18-7-11(8)15-19-14(20-22-15)10-3-5-17-13-9(10)2-4-16-13/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H,18,21)
InChIKeyWJGPJIKCHNWGJH-UHFFFAOYSA-N
XLogP1.85
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R,2R)-2-ethylcyclopropyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 146092130
5-(5-methyloxolan-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 146092125
5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 58086007
5-[3-(methoxymethyl)oxetan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 166315125
5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 55228804
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802
6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine;methylsulfanylmethane
CID 142518022
ethane;methanethiol;6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 142518116
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen
CID 158568909
3-(5-chloro-2-pyridinyl)-5-[(3S,4S)-4-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 114085818
5-[3-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 157416175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 166283359) is 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is CC1CC(=O)NCC1c1nc(-c2ccnc3[nH]ccc23)no1.
What is the InChIKey of 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is WJGPJIKCHNWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-8-6-12(21)18-7-11(8)15-19-14(20-22-15)10-3-5-17-13-9(10)2-4-16-13/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H,18,21).
What are the key properties of 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 297.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 166283359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).