(5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one

C22H12ClF8N5O3 — CID 129143235

IUPAC(5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one
SMILESO=C1N[C@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C(F)(F)F)CC1(F)F
InChIInChI=1S/C22H12ClF8N5O3/c23-13-4-10(21(26,27)28)6-36-7-14(33-17(13)36)18-34-16(35-39-18)9-1-2-15(12(3-9)22(29,30)31)38-8-11-5-20(24,25)19(37)32-11/h1-4,6-7,11H,5,8H2,(H,32,37)/t11-/m0/s1
InChIKeyFUMRBNJLNLOSBT-NSHDSACASA-N
MW581.81 g/mol
LogP5.64
Rot. Bonds5

About (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one

(5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one (PubChem CID 129143235) has the molecular formula C22H12ClF8N5O3 and a molecular weight of 581.81 g/mol. Its IUPAC name is (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one
PubChem CID129143235
Molecular FormulaC22H12ClF8N5O3
Molecular Weight581.81 g/mol
Exact Mass581.05
IUPAC Name(5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one
SMILESO=C1N[C@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C(F)(F)F)CC1(F)F
InChIInChI=1S/C22H12ClF8N5O3/c23-13-4-10(21(26,27)28)6-36-7-14(33-17(13)36)18-34-16(35-39-18)9-1-2-15(12(3-9)22(29,30)31)38-8-11-5-20(24,25)19(37)32-11/h1-4,6-7,11H,5,8H2,(H,32,37)/t11-/m0/s1
InChIKeyFUMRBNJLNLOSBT-NSHDSACASA-N
XLogP5.64
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.81
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one?
The IUPAC name of (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one (CID 129143235) is (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one is O=C1N[C@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C(F)(F)F)CC1(F)F.
What is the InChIKey of (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one?
The InChIKey is FUMRBNJLNLOSBT-NSHDSACASA-N. The full InChI is InChI=1S/C22H12ClF8N5O3/c23-13-4-10(21(26,27)28)6-36-7-14(33-17(13)36)18-34-16(35-39-18)9-1-2-15(12(3-9)22(29,30)31)38-8-11-5-20(24,25)19(37)32-11/h1-4,6-7,11H,5,8H2,(H,32,37)/t11-/m0/s1.
What are the key properties of (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one?
(5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one has a molecular weight of 581.81 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenoxy]methyl]-3,3-difluoropyrrolidin-2-one is sourced from PubChem (CID 129143235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).