1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone

C21H22N4O3 — CID 20916271

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone (PubChem CID 20916271) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone.

Molecular Properties

• Compound Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone
• PubChem CID: 20916271
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone
• SMILES: Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
• InChI: InChI=1S/C21H22N4O3/c1-15-23-18-6-3-9-22-19(18)25(15)17-5-2-4-16(14-17)20(26)24-10-7-21(8-11-24)27-12-13-28-21/h2-6,9,14H,7-8,10-13H2,1H3
• InChIKey: OYELRVWQSBHJHQ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 69.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone?

The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone (CID 20916271) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone.

What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone?

The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone is Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.

What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone?

The InChIKey is OYELRVWQSBHJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-23-18-6-3-9-22-19(18)25(15)17-5-2-4-16(14-17)20(26)24-10-7-21(8-11-24)27-12-13-28-21/h2-6,9,14H,7-8,10-13H2,1H3.

What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone?

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone has a molecular weight of 378.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone is sourced from PubChem (CID 20916271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).