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

C22H18Cl3N5O3 — CID 162119814

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

(5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one (PubChem CID 162119814) has the molecular formula C22H18Cl3N5O3 and a molecular weight of 506.78 g/mol. Its IUPAC name is (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
• PubChem CID: 162119814
• Molecular Formula: C22H18Cl3N5O3
• Molecular Weight: 506.78 g/mol
• Exact Mass: 505.05
• IUPAC Name: (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
• SMILES: Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CCC(=O)N(C)C5)cc4Cl)no3)cn2c1
• InChI: InChI=1S/C22H18Cl3N5O3/c1-11-5-16(25)21-26-17(10-30(21)8-11)22-27-20(28-33-22)13-6-15(24)18(7-14(13)23)32-12-3-4-19(31)29(2)9-12/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m0/s1
• InChIKey: QEPAXMVPFLXEFT-LBPRGKRZSA-N
• XLogP: 5.32
• TPSA: 85.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.78
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

The IUPAC name of (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one (CID 162119814) is (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one.

What is the SMILES notation for (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

The canonical SMILES for (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one is Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CCC(=O)N(C)C5)cc4Cl)no3)cn2c1.

What is the InChIKey of (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

The InChIKey is QEPAXMVPFLXEFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H18Cl3N5O3/c1-11-5-16(25)21-26-17(10-30(21)8-11)22-27-20(28-33-22)13-6-15(24)18(7-14(13)23)32-12-3-4-19(31)29(2)9-12/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m0/s1.

What are the key properties of (5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

(5S)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one has a molecular weight of 506.78 g/mol, XLogP of 5.32, 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-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one is sourced from PubChem (CID 162119814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).