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

C22H18Cl2F3N5O3 — CID 46234217

IUPAC2-[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
SMILESOCCN1CCC(Oc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)c(Cl)c2)C1
InChIInChI=1S/C22H18Cl2F3N5O3/c23-16-8-13(34-14-3-4-31(10-14)5-6-33)1-2-15(16)19-29-21(35-30-19)18-11-32-9-12(22(25,26)27)7-17(24)20(32)28-18/h1-2,7-9,11,14,33H,3-6,10H2
InChIKeySDXXSSVDTCROFY-UHFFFAOYSA-N
MW528.32 g/mol
LogP4.82
Rot. Bonds6

About 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

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 (PubChem CID 46234217) has the molecular formula C22H18Cl2F3N5O3 and a molecular weight of 528.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID46234217
Molecular FormulaC22H18Cl2F3N5O3
Molecular Weight528.32 g/mol
Exact Mass527.07
IUPAC Name2-[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
SMILESOCCN1CCC(Oc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)c(Cl)c2)C1
InChIInChI=1S/C22H18Cl2F3N5O3/c23-16-8-13(34-14-3-4-31(10-14)5-6-33)1-2-15(16)19-29-21(35-30-19)18-11-32-9-12(22(25,26)27)7-17(24)20(32)28-18/h1-2,7-9,11,14,33H,3-6,10H2
InChIKeySDXXSSVDTCROFY-UHFFFAOYSA-N
XLogP4.82
TPSA88.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OCCN1CCC(Oc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)c(Cl)c2)C1.
What is the InChIKey of 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?
The InChIKey is SDXXSSVDTCROFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N5O3/c23-16-8-13(34-14-3-4-31(10-14)5-6-33)1-2-15(16)19-29-21(35-30-19)18-11-32-9-12(22(25,26)27)7-17(24)20(32)28-18/h1-2,7-9,11,14,33H,3-6,10H2.
What are the key properties of 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?
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 has a molecular weight of 528.32 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46234217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).