5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole

C23H20Cl3N5O2 — CID 159910081

About 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole

5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole (PubChem CID 159910081) has the molecular formula C23H20Cl3N5O2 and a molecular weight of 507.82 g/mol. Its IUPAC name is 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
• PubChem CID: 159910081
• Molecular Formula: C23H20Cl3N5O2
• Molecular Weight: 507.82 g/mol
• Exact Mass: 506.09
• IUPAC Name: 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
• SMILES: [2H]C([2H])([2H])N1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2Cl)CCC1=C
• InChI: InChI=1S/C23H20Cl3N5O2/c1-12-6-18(26)22-27-19(11-31(22)9-12)23-28-21(29-33-23)15-7-17(25)20(8-16(15)24)32-14-5-4-13(2)30(3)10-14/h6-9,11,14H,2,4-5,10H2,1,3H3/i3D3
• InChIKey: ZYNLMBNYHQZWAY-HPRDVNIFSA-N
• XLogP: 6.31
• TPSA: 68.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.82
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole (CID 159910081) is 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole is [2H]C([2H])([2H])N1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2Cl)CCC1=C.

What is the InChIKey of 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole?

The InChIKey is ZYNLMBNYHQZWAY-HPRDVNIFSA-N. The full InChI is InChI=1S/C23H20Cl3N5O2/c1-12-6-18(26)22-27-19(11-31(22)9-12)23-28-21(29-33-23)15-7-17(25)20(8-16(15)24)32-14-5-4-13(2)30(3)10-14/h6-9,11,14H,2,4-5,10H2,1,3H3/i3D3.

What are the key properties of 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole?

5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole has a molecular weight of 507.82 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[2,5-dichloro-4-[6-methylidene-1-(trideuteriomethyl)piperidin-3-yl]oxyphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159910081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).