5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol

C71H46Cl9F9N12O13 — CID 161178237

IUPAC5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol
SMILESFC(F)(F)c1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(OC5COC(c6ccccc6)OC5)cc4Cl)no3)cn2c1.OC1COC(c2ccccc2)OC1.OCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C26H16Cl3F3N4O4.C19H12Cl3F3N4O4.C16H6Cl3F3N4O2.C10H12O3/c27-17-8-21(39-15-11-37-25(38-12-15)13-4-2-1-3-5-13)18(28)7-16(17)22-34-24(40-35-22)20-10-36-9-14(26(30,31)32)6-19(29)23(36)33-20;20-11-3-15(32-9(6-30)7-31)12(21)2-10(11)16-27-18(33-28-16)14-5-29-4-8(19(23,24)25)1-13(22)17(29)26-14;17-8-3-12(27)9(18)2-7(8)13-24-15(28-25-13)11-5-26-4-6(16(20,21)22)1-10(19)14(26)23-11;11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-10,15,25H,11-12H2;1-5,9,30-31H,6-7H2;1-5,27H;1-5,9-11H,6-7H2
InChIKeyUSCGPCHLBVWVHE-UHFFFAOYSA-N
MW1765.28 g/mol
LogP19.11
Rot. Bonds14

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol (PubChem CID 161178237) has the molecular formula C71H46Cl9F9N12O13 and a molecular weight of 1765.28 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol
PubChem CID161178237
Molecular FormulaC71H46Cl9F9N12O13
Molecular Weight1765.28 g/mol
Exact Mass1760.04
IUPAC Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol
SMILESFC(F)(F)c1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(OC5COC(c6ccccc6)OC5)cc4Cl)no3)cn2c1.OC1COC(c2ccccc2)OC1.OCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C26H16Cl3F3N4O4.C19H12Cl3F3N4O4.C16H6Cl3F3N4O2.C10H12O3/c27-17-8-21(39-15-11-37-25(38-12-15)13-4-2-1-3-5-13)18(28)7-16(17)22-34-24(40-35-22)20-10-36-9-14(26(30,31)32)6-19(29)23(36)33-20;20-11-3-15(32-9(6-30)7-31)12(21)2-10(11)16-27-18(33-28-16)14-5-29-4-8(19(23,24)25)1-13(22)17(29)26-14;17-8-3-12(27)9(18)2-7(8)13-24-15(28-25-13)11-5-26-4-6(16(20,21)22)1-10(19)14(26)23-11;11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-10,15,25H,11-12H2;1-5,9,30-31H,6-7H2;1-5,27H;1-5,9-11H,6-7H2
InChIKeyUSCGPCHLBVWVHE-UHFFFAOYSA-N
XLogP19.11
TPSA304.96 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.28
LogP ≤ 519.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol with MolForge

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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-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol?
The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol (CID 161178237) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol.
What is the SMILES notation for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol?
The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol is FC(F)(F)c1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(OC5COC(c6ccccc6)OC5)cc4Cl)no3)cn2c1.OC1COC(c2ccccc2)OC1.OCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
What is the InChIKey of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol?
The InChIKey is USCGPCHLBVWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl3F3N4O4.C19H12Cl3F3N4O4.C16H6Cl3F3N4O2.C10H12O3/c27-17-8-21(39-15-11-37-25(38-12-15)13-4-2-1-3-5-13)18(28)7-16(17)22-34-24(40-35-22)20-10-36-9-14(26(30,31)32)6-19(29)23(36)33-20;20-11-3-15(32-9(6-30)7-31)12(21)2-10(11)16-27-18(33-28-16)14-5-29-4-8(19(23,24)25)1-13(22)17(29)26-14;17-8-3-12(27)9(18)2-7(8)13-24-15(28-25-13)11-5-26-4-6(16(20,21)22)1-10(19)14(26)23-11;11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-10,15,25H,11-12H2;1-5,9,30-31H,6-7H2;1-5,27H;1-5,9-11H,6-7H2.
What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol?
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol has a molecular weight of 1765.28 g/mol, XLogP of 19.11, 14 rotatable bonds, 4 hydrogen bond donors, and 25 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-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole;2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenol;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;2-phenyl-1,3-dioxan-5-ol is sourced from PubChem (CID 161178237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).