2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole

C15H11ClN6O — CID 99962935

IUPAC2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1ncncc1-c1nnc(-c2c(C)nc3ccc(Cl)cn23)o1
InChIInChI=1S/C15H11ClN6O/c1-8-11(5-17-7-18-8)14-20-21-15(23-14)13-9(2)19-12-4-3-10(16)6-22(12)13/h3-7H,1-2H3
InChIKeyHRVGUEAYHROHJA-UHFFFAOYSA-N
MW326.75 g/mol
LogP3.11
Rot. Bonds2

About 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole

2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99962935) has the molecular formula C15H11ClN6O and a molecular weight of 326.75 g/mol. Its IUPAC name is 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99962935
Molecular FormulaC15H11ClN6O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC Name2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1ncncc1-c1nnc(-c2c(C)nc3ccc(Cl)cn23)o1
InChIInChI=1S/C15H11ClN6O/c1-8-11(5-17-7-18-8)14-20-21-15(23-14)13-9(2)19-12-4-3-10(16)6-22(12)13/h3-7H,1-2H3
InChIKeyHRVGUEAYHROHJA-UHFFFAOYSA-N
XLogP3.11
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99962935) is 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole is Cc1ncncc1-c1nnc(-c2c(C)nc3ccc(Cl)cn23)o1.
What is the InChIKey of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is HRVGUEAYHROHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6O/c1-8-11(5-17-7-18-8)14-20-21-15(23-14)13-9(2)19-12-4-3-10(16)6-22(12)13/h3-7H,1-2H3.
What are the key properties of 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 326.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).