1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one

C26H25Cl3N6O4 — CID 158287767

About 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one

1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one (PubChem CID 158287767) has the molecular formula C26H25Cl3N6O4 and a molecular weight of 591.88 g/mol. Its IUPAC name is 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one.

Molecular Properties

• Compound Name: 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
• PubChem CID: 158287767
• Molecular Formula: C26H25Cl3N6O4
• Molecular Weight: 591.88 g/mol
• Exact Mass: 590.10
• IUPAC Name: 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
• SMILES: C=C(OCN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2Cl)CCC1=O)C(C)N
• InChI: InChI=1S/C26H25Cl3N6O4/c1-13-6-20(29)25-31-21(11-34(25)9-13)26-32-24(33-39-26)17-7-19(28)22(8-18(17)27)38-16-4-5-23(36)35(10-16)12-37-15(3)14(2)30/h6-9,11,14,16H,3-5,10,12,30H2,1-2H3
• InChIKey: KIEAFNMMJMETIO-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 121.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.88
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one (CID 158287767) is 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one.

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

The canonical SMILES for 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one is C=C(OCN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2Cl)CCC1=O)C(C)N.

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

The InChIKey is KIEAFNMMJMETIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N6O4/c1-13-6-20(29)25-31-21(11-34(25)9-13)26-32-24(33-39-26)17-7-19(28)22(8-18(17)27)38-16-4-5-23(36)35(10-16)12-37-15(3)14(2)30/h6-9,11,14,16H,3-5,10,12,30H2,1-2H3.

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

1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one has a molecular weight of 591.88 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminobut-1-en-2-yloxymethyl)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one is sourced from PubChem (CID 158287767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).