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

C21H11Cl3F5N5O3 — CID 129143236

IUPAC(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one
SMILESO=C1NC[C@@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC1(F)F
InChIInChI=1S/C21H11Cl3F5N5O3/c22-11-3-15(36-9-4-20(25,26)19(35)30-5-9)12(23)2-10(11)16-32-18(37-33-16)14-7-34-6-8(21(27,28)29)1-13(24)17(34)31-14/h1-3,6-7,9H,4-5H2,(H,30,35)/t9-/m0/s1
InChIKeyGFNPDFFLLBYEKM-VIFPVBQESA-N
MW582.70 g/mol
LogP5.93
Rot. Bonds4

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

(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one (PubChem CID 129143236) has the molecular formula C21H11Cl3F5N5O3 and a molecular weight of 582.70 g/mol. Its IUPAC name is (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one
PubChem CID129143236
Molecular FormulaC21H11Cl3F5N5O3
Molecular Weight582.70 g/mol
Exact Mass580.98
IUPAC Name(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one
SMILESO=C1NC[C@@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC1(F)F
InChIInChI=1S/C21H11Cl3F5N5O3/c22-11-3-15(36-9-4-20(25,26)19(35)30-5-9)12(23)2-10(11)16-32-18(37-33-16)14-7-34-6-8(21(27,28)29)1-13(24)17(34)31-14/h1-3,6-7,9H,4-5H2,(H,30,35)/t9-/m0/s1
InChIKeyGFNPDFFLLBYEKM-VIFPVBQESA-N
XLogP5.93
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one?
The IUPAC name of (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one (CID 129143236) is (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one.
What is the SMILES notation for (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one?
The canonical SMILES for (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one is O=C1NC[C@@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC1(F)F.
What is the InChIKey of (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one?
The InChIKey is GFNPDFFLLBYEKM-VIFPVBQESA-N. The full InChI is InChI=1S/C21H11Cl3F5N5O3/c22-11-3-15(36-9-4-20(25,26)19(35)30-5-9)12(23)2-10(11)16-32-18(37-33-16)14-7-34-6-8(21(27,28)29)1-13(24)17(34)31-14/h1-3,6-7,9H,4-5H2,(H,30,35)/t9-/m0/s1.
What are the key properties of (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one?
(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one has a molecular weight of 582.70 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one is sourced from PubChem (CID 129143236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).