(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide

C23H19Cl3F3N4O6P — CID 46235154

IUPAC(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC(C)(C)OP1(=O)OC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)O1
InChIInChI=1S/C23H19Cl3F3N4O6P/c1-22(2,3)39-40(34)36-10-12(38-40)9-35-18-6-14(24)13(5-15(18)25)19-31-21(37-32-19)17-8-33-7-11(23(27,28)29)4-16(26)20(33)30-17/h4-8,12H,9-10H2,1-3H3/t12-,40?/m1/s1
InChIKeyLLVOJMORWFWXON-FEVXIDPWSA-N
MW641.75 g/mol
LogP7.75
Rot. Bonds6

About (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide

(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 46235154) has the molecular formula C23H19Cl3F3N4O6P and a molecular weight of 641.75 g/mol. Its IUPAC name is (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID46235154
Molecular FormulaC23H19Cl3F3N4O6P
Molecular Weight641.75 g/mol
Exact Mass640.01
IUPAC Name(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC(C)(C)OP1(=O)OC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)O1
InChIInChI=1S/C23H19Cl3F3N4O6P/c1-22(2,3)39-40(34)36-10-12(38-40)9-35-18-6-14(24)13(5-15(18)25)19-31-21(37-32-19)17-8-33-7-11(23(27,28)29)4-16(26)20(33)30-17/h4-8,12H,9-10H2,1-3H3/t12-,40?/m1/s1
InChIKeyLLVOJMORWFWXON-FEVXIDPWSA-N
XLogP7.75
TPSA110.21 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.75
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide (CID 46235154) is (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide is CC(C)(C)OP1(=O)OC[C@@H](COc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)O1.
What is the InChIKey of (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is LLVOJMORWFWXON-FEVXIDPWSA-N. The full InChI is InChI=1S/C23H19Cl3F3N4O6P/c1-22(2,3)39-40(34)36-10-12(38-40)9-35-18-6-14(24)13(5-15(18)25)19-31-21(37-32-19)17-8-33-7-11(23(27,28)29)4-16(26)20(33)30-17/h4-8,12H,9-10H2,1-3H3/t12-,40?/m1/s1.
What are the key properties of (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 641.75 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 46235154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).