3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one

C24H26ClN3O4 — CID 4191341

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one (PubChem CID 4191341) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

• Compound Name: 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one
• PubChem CID: 4191341
• Molecular Formula: C24H26ClN3O4
• Molecular Weight: 455.94 g/mol
• Exact Mass: 455.16
• IUPAC Name: 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one
• SMILES: COc1ccccc1C(CC(=O)N1CCC2(CC1)OCCO2)c1cnc2ccc(Cl)cn12
• InChI: InChI=1S/C24H26ClN3O4/c1-30-21-5-3-2-4-18(21)19(20-15-26-22-7-6-17(25)16-28(20)22)14-23(29)27-10-8-24(9-11-27)31-12-13-32-24/h2-7,15-16,19H,8-14H2,1H3
• InChIKey: XGLVIUPNJAIBJJ-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 65.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.94
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one?

The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one (CID 4191341) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one.

What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one?

The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1C(CC(=O)N1CCC2(CC1)OCCO2)c1cnc2ccc(Cl)cn12.

What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one?

The InChIKey is XGLVIUPNJAIBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-30-21-5-3-2-4-18(21)19(20-15-26-22-7-6-17(25)16-28(20)22)14-23(29)27-10-8-24(9-11-27)31-12-13-32-24/h2-7,15-16,19H,8-14H2,1H3.

What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one?

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 455.94 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 4191341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).