(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]piperidin-2-one

C21H13Cl3F3N5O3 — CID 129143227

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]piperidin-2-one
SMILESO=C1CC[C@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CN1
InChIInChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-10-1-2-17(33)28-6-10)13(23)4-11(12)18-30-20(35-31-18)15-8-32-7-9(21(25,26)27)3-14(24)19(32)29-15/h3-5,7-8,10H,1-2,6H2,(H,28,33)/t10-/m0/s1
InChIKeyHNRWGYDMTRPLCQ-JTQLQIEISA-N
MW546.72 g/mol
LogP5.69
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]piperidin-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]piperidin-2-one (PubChem CID 129143227) has the molecular formula C21H13Cl3F3N5O3 and a molecular weight of 546.72 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]piperidin-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]piperidin-2-one
PubChem CID129143227
Molecular FormulaC21H13Cl3F3N5O3
Molecular Weight546.72 g/mol
Exact Mass545.00
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]piperidin-2-one
SMILESO=C1CC[C@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CN1
InChIInChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-10-1-2-17(33)28-6-10)13(23)4-11(12)18-30-20(35-31-18)15-8-32-7-9(21(25,26)27)3-14(24)19(32)29-15/h3-5,7-8,10H,1-2,6H2,(H,28,33)/t10-/m0/s1
InChIKeyHNRWGYDMTRPLCQ-JTQLQIEISA-N
XLogP5.69
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 55.69
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]piperidin-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]piperidin-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]piperidin-2-one (CID 129143227) 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]piperidin-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]piperidin-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]piperidin-2-one is O=C1CC[C@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CN1.
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]piperidin-2-one?
The InChIKey is HNRWGYDMTRPLCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-10-1-2-17(33)28-6-10)13(23)4-11(12)18-30-20(35-31-18)15-8-32-7-9(21(25,26)27)3-14(24)19(32)29-15/h3-5,7-8,10H,1-2,6H2,(H,28,33)/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]piperidin-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]piperidin-2-one has a molecular weight of 546.72 g/mol, XLogP of 5.69, 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]piperidin-2-one is sourced from PubChem (CID 129143227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).