(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-difluoro-1-methylpiperidin-2-one

C22H13Cl3F5N5O3 — CID 129143238

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-difluoro-1-methylpiperidin-2-one
SMILESCN1C[C@@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(F)(F)C1=O
InChIInChI=1S/C22H13Cl3F5N5O3/c1-34-7-10(5-21(26,27)20(34)36)37-16-4-12(23)11(3-13(16)24)17-32-19(38-33-17)15-8-35-6-9(22(28,29)30)2-14(25)18(35)31-15/h2-4,6,8,10H,5,7H2,1H3/t10-/m0/s1
InChIKeyFMKJSDKFXCOSBP-JTQLQIEISA-N
MW596.73 g/mol
LogP6.28
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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-2-one (PubChem CID 129143238) has the molecular formula C22H13Cl3F5N5O3 and a molecular weight of 596.73 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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-2-one
PubChem CID129143238
Molecular FormulaC22H13Cl3F5N5O3
Molecular Weight596.73 g/mol
Exact Mass595.00
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-difluoro-1-methylpiperidin-2-one
SMILESCN1C[C@@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(F)(F)C1=O
InChIInChI=1S/C22H13Cl3F5N5O3/c1-34-7-10(5-21(26,27)20(34)36)37-16-4-12(23)11(3-13(16)24)17-32-19(38-33-17)15-8-35-6-9(22(28,29)30)2-14(25)18(35)31-15/h2-4,6,8,10H,5,7H2,1H3/t10-/m0/s1
InChIKeyFMKJSDKFXCOSBP-JTQLQIEISA-N
XLogP6.28
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 56.28
H-Bond Donors ≤ 50
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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-2-one (CID 129143238) 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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-2-one is CN1C[C@@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(F)(F)C1=O.
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-difluoro-1-methylpiperidin-2-one?
The InChIKey is FMKJSDKFXCOSBP-JTQLQIEISA-N. The full InChI is InChI=1S/C22H13Cl3F5N5O3/c1-34-7-10(5-21(26,27)20(34)36)37-16-4-12(23)11(3-13(16)24)17-32-19(38-33-17)15-8-35-6-9(22(28,29)30)2-14(25)18(35)31-15/h2-4,6,8,10H,5,7H2,1H3/t10-/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-difluoro-1-methylpiperidin-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-difluoro-1-methylpiperidin-2-one has a molecular weight of 596.73 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 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-difluoro-1-methylpiperidin-2-one is sourced from PubChem (CID 129143238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).