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

C25H29N3O4 — CID 42783571

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 42783571) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
• PubChem CID: 42783571
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
• SMILES: COc1cccc(C(CC(=O)N2CCC3(CC2)OCCO3)c2cnc3c(C)cccn23)c1
• InChI: InChI=1S/C25H29N3O4/c1-18-5-4-10-28-22(17-26-24(18)28)21(19-6-3-7-20(15-19)30-2)16-23(29)27-11-8-25(9-12-27)31-13-14-32-25/h3-7,10,15,17,21H,8-9,11-14,16H2,1-2H3
• InChIKey: IMOWIVBJYCIIAO-UHFFFAOYSA-N
• XLogP: 3.54
• 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	435.52
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (CID 42783571) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

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

The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is COc1cccc(C(CC(=O)N2CCC3(CC2)OCCO3)c2cnc3c(C)cccn23)c1.

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

The InChIKey is IMOWIVBJYCIIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18-5-4-10-28-22(17-26-24(18)28)21(19-6-3-7-20(15-19)30-2)16-23(29)27-11-8-25(9-12-27)31-13-14-32-25/h3-7,10,15,17,21H,8-9,11-14,16H2,1-2H3.

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 435.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 42783571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).