5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole

C22H16Cl3F3N4O4 — CID 46234697

IUPAC5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole
SMILESCC1(C)OC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)O1
InChIInChI=1S/C22H16Cl3F3N4O4/c1-21(2)34-9-11(35-21)8-33-17-5-13(23)12(4-14(17)24)18-30-20(36-31-18)16-7-32-6-10(22(26,27)28)3-15(25)19(32)29-16/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyVLSUOEGDQHFYLC-LLVKDONJSA-N
MW563.75 g/mol
LogP6.56
Rot. Bonds5

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 46234697) has the molecular formula C22H16Cl3F3N4O4 and a molecular weight of 563.75 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID46234697
Molecular FormulaC22H16Cl3F3N4O4
Molecular Weight563.75 g/mol
Exact Mass562.02
IUPAC Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole
SMILESCC1(C)OC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)O1
InChIInChI=1S/C22H16Cl3F3N4O4/c1-21(2)34-9-11(35-21)8-33-17-5-13(23)12(4-14(17)24)18-30-20(36-31-18)16-7-32-6-10(22(26,27)28)3-15(25)19(32)29-16/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyVLSUOEGDQHFYLC-LLVKDONJSA-N
XLogP6.56
TPSA83.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.75
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

Tamuzimod
CID 129143185
US10683291, Example 1
CID 129117578
US10683291, Example 5
CID 129143184
US10683291, Example 6
CID 129143228
2-Amino-3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propanoic acid
CID 46234054
3-[2,6-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 46234216
2-[3-[3-Chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]ethanol
CID 46234217
1-Amino-3-[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-ol
CID 46234376
2-[5-Chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
CID 46234534
(2S,4S)-4-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidine-2-carboxylic acid
CID 46234536
2-[2,6-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]ethyl acetate
CID 46234537
1-[2,5-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol
CID 46234693

Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole (CID 46234697) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole is CC1(C)OC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)O1.
What is the InChIKey of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is VLSUOEGDQHFYLC-LLVKDONJSA-N. The full InChI is InChI=1S/C22H16Cl3F3N4O4/c1-21(2)34-9-11(35-21)8-33-17-5-13(23)12(4-14(17)24)18-30-20(36-31-18)16-7-32-6-10(22(26,27)28)3-15(25)19(32)29-16/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole?
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 563.75 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46234697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).