2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole

C16H14N6O — CID 99962904

IUPAC2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1ccn2c(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc2c1
InChIInChI=1S/C16H14N6O/c1-9-4-5-22-13(6-9)19-10(2)14(22)16-21-20-15(23-16)12-7-17-11(3)18-8-12/h4-8H,1-3H3
InChIKeyPOKWNZDVUHIYOK-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.77
Rot. Bonds2

About 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole

2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99962904) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99962904
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1ccn2c(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc2c1
InChIInChI=1S/C16H14N6O/c1-9-4-5-22-13(6-9)19-10(2)14(22)16-21-20-15(23-16)12-7-17-11(3)18-8-12/h4-8H,1-3H3
InChIKeyPOKWNZDVUHIYOK-UHFFFAOYSA-N
XLogP2.77
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99962904) is 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole is Cc1ccn2c(-c3nnc(-c4cnc(C)nc4)o3)c(C)nc2c1.
What is the InChIKey of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is POKWNZDVUHIYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-9-4-5-22-13(6-9)19-10(2)14(22)16-21-20-15(23-16)12-7-17-11(3)18-8-12/h4-8H,1-3H3.
What are the key properties of 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 306.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).