2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile

C17H8Cl3N5O — CID 158474904

IUPAC2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile
SMILESCc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(C#N)cc4Cl)no3)cn2c1
InChIInChI=1S/C17H8Cl3N5O/c1-8-2-13(20)16-22-14(7-25(16)6-8)17-23-15(24-26-17)10-4-11(18)9(5-21)3-12(10)19/h2-4,6-7H,1H3
InChIKeyVPXJKLLFLVUDOR-UHFFFAOYSA-N
MW404.64 g/mol
LogP5.19
Rot. Bonds2

About 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile

2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile (PubChem CID 158474904) has the molecular formula C17H8Cl3N5O and a molecular weight of 404.64 g/mol. Its IUPAC name is 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile
PubChem CID158474904
Molecular FormulaC17H8Cl3N5O
Molecular Weight404.64 g/mol
Exact Mass402.98
IUPAC Name2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile
SMILESCc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(C#N)cc4Cl)no3)cn2c1
InChIInChI=1S/C17H8Cl3N5O/c1-8-2-13(20)16-22-14(7-25(16)6-8)17-23-15(24-26-17)10-4-11(18)9(5-21)3-12(10)19/h2-4,6-7H,1H3
InChIKeyVPXJKLLFLVUDOR-UHFFFAOYSA-N
XLogP5.19
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
CID 162119814
5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 159910081
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 46233877
1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
CID 158287767
3-[4-[5-(6-bromo-8-chloroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-5-chloro-2-fluorophenyl]propanoic acid
CID 59377387
2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,3-diol
CID 57461217
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 59377080
3-[2,5-dichloro-4-[5-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropanoic acid
CID 70881268
3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]pentan-3-ylphosphonic acid
CID 87513838
[(2S)-1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-yl] sulfate;hydron
CID 173096632
(4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one
CID 160710422
3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-5-methylphenyl]propanoic acid
CID 59377252

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile?
The IUPAC name of 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile (CID 158474904) is 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile.
What is the SMILES notation for 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile?
The canonical SMILES for 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile is Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(C#N)cc4Cl)no3)cn2c1.
What is the InChIKey of 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile?
The InChIKey is VPXJKLLFLVUDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl3N5O/c1-8-2-13(20)16-22-14(7-25(16)6-8)17-23-15(24-26-17)10-4-11(18)9(5-21)3-12(10)19/h2-4,6-7H,1H3.
What are the key properties of 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile?
2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile has a molecular weight of 404.64 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]benzonitrile is sourced from PubChem (CID 158474904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).