2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole

C17H10Cl2F2N4O — CID 70881207

IUPAC2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
SMILESCC(F)(F)c1cc(Cl)c2nc(-c3nnc(-c4ccccc4Cl)o3)cn2c1
InChIInChI=1S/C17H10Cl2F2N4O/c1-17(20,21)9-6-12(19)14-22-13(8-25(14)7-9)16-24-23-15(26-16)10-4-2-3-5-11(10)18/h2-8H,1H3
InChIKeyIGGOEMVZYUEVIL-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.47
Rot. Bonds3

About 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole

2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 70881207) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
PubChem CID70881207
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC Name2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
SMILESCC(F)(F)c1cc(Cl)c2nc(-c3nnc(-c4ccccc4Cl)o3)cn2c1
InChIInChI=1S/C17H10Cl2F2N4O/c1-17(20,21)9-6-12(19)14-22-13(8-25(14)7-9)16-24-23-15(26-16)10-4-2-3-5-11(10)18/h2-8H,1H3
InChIKeyIGGOEMVZYUEVIL-UHFFFAOYSA-N
XLogP5.47
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole (CID 70881207) is 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole is CC(F)(F)c1cc(Cl)c2nc(-c3nnc(-c4ccccc4Cl)o3)cn2c1.
What is the InChIKey of 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is IGGOEMVZYUEVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c1-17(20,21)9-6-12(19)14-22-13(8-25(14)7-9)16-24-23-15(26-16)10-4-2-3-5-11(10)18/h2-8H,1H3.
What are the key properties of 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole?
2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 395.20 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70881207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).