5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane

C59H44Cl9F9IN12O15P3 — CID 157125328

IUPAC5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(CI)OCC.CCOP(=O)(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)OCC.O=P(O)(O)COc1cc(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/C21H17Cl3F3N4O5P.C17H9Cl3F3N4O5P.C16H6Cl3F3N4O2.C5H12IO3P/c1-3-34-37(32,35-4-2)10-33-17-7-13(22)12(6-14(17)23)18-29-20(36-30-18)16-9-31-8-11(21(25,26)27)5-15(24)19(31)28-16;18-9-3-13(31-6-33(28,29)30)10(19)2-8(9)14-25-16(32-26-14)12-5-27-4-7(17(21,22)23)1-11(20)15(27)24-12;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;1-3-8-10(7,5-6)9-4-2/h5-9H,3-4,10H2,1-2H3;1-5H,6H2,(H2,28,29,30);1-5,27H;3-5H2,1-2H3
InChIKeyAILDBLGNLSNVST-UHFFFAOYSA-N
MW1870.95 g/mol
LogP21.56
Rot. Bonds21

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane (PubChem CID 157125328) has the molecular formula C59H44Cl9F9IN12O15P3 and a molecular weight of 1870.95 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane
PubChem CID157125328
Molecular FormulaC59H44Cl9F9IN12O15P3
Molecular Weight1870.95 g/mol
Exact Mass1865.84
IUPAC Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(CI)OCC.CCOP(=O)(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)OCC.O=P(O)(O)COc1cc(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/C21H17Cl3F3N4O5P.C17H9Cl3F3N4O5P.C16H6Cl3F3N4O2.C5H12IO3P/c1-3-34-37(32,35-4-2)10-33-17-7-13(22)12(6-14(17)23)18-29-20(36-30-18)16-9-31-8-11(21(25,26)27)5-15(24)19(31)28-16;18-9-3-13(31-6-33(28,29)30)10(19)2-8(9)14-25-16(32-26-14)12-5-27-4-7(17(21,22)23)1-11(20)15(27)24-12;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;1-3-8-10(7,5-6)9-4-2/h5-9H,3-4,10H2,1-2H3;1-5H,6H2,(H2,28,29,30);1-5,27H;3-5H2,1-2H3
InChIKeyAILDBLGNLSNVST-UHFFFAOYSA-N
XLogP21.56
TPSA335.94 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.95
LogP ≤ 521.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane 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-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane?
The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane (CID 157125328) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane.
What is the SMILES notation for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane?
The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane is CCOP(=O)(CI)OCC.CCOP(=O)(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)OCC.O=P(O)(O)COc1cc(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-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane?
The InChIKey is AILDBLGNLSNVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3F3N4O5P.C17H9Cl3F3N4O5P.C16H6Cl3F3N4O2.C5H12IO3P/c1-3-34-37(32,35-4-2)10-33-17-7-13(22)12(6-14(17)23)18-29-20(36-30-18)16-9-31-8-11(21(25,26)27)5-15(24)19(31)28-16;18-9-3-13(31-6-33(28,29)30)10(19)2-8(9)14-25-16(32-26-14)12-5-27-4-7(17(21,22)23)1-11(20)15(27)24-12;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;1-3-8-10(7,5-6)9-4-2/h5-9H,3-4,10H2,1-2H3;1-5H,6H2,(H2,28,29,30);1-5,27H;3-5H2,1-2H3.
What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane?
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane has a molecular weight of 1870.95 g/mol, XLogP of 21.56, 21 rotatable bonds, 3 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-(diethoxyphosphorylmethoxy)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;[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methylphosphonic acid;1-[ethoxy(iodomethyl)phosphoryl]oxyethane is sourced from PubChem (CID 157125328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).