6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

C23H22N4O6 — CID 121155536

About 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 121155536) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

• Compound Name: 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
• PubChem CID: 121155536
• Molecular Formula: C23H22N4O6
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.15
• IUPAC Name: 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
• SMILES: COCCn1c(C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc2c(=O)n3ccccc3nc21
• InChI: InChI=1S/C23H22N4O6/c1-14-9-15(10-20(28)32-14)33-16-12-25(13-16)23(30)18-11-17-21(26(18)7-8-31-2)24-19-5-3-4-6-27(19)22(17)29/h3-6,9-11,16H,7-8,12-13H2,1-2H3
• InChIKey: LYWCFAFJCIPMNN-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 108.28 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?

The IUPAC name of 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 121155536) is 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

What is the SMILES notation for 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?

The canonical SMILES for 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is COCCn1c(C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc2c(=O)n3ccccc3nc21.

What is the InChIKey of 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?

The InChIKey is LYWCFAFJCIPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-14-9-15(10-20(28)32-14)33-16-12-25(13-16)23(30)18-11-17-21(26(18)7-8-31-2)24-19-5-3-4-6-27(19)22(17)29/h3-6,9-11,16H,7-8,12-13H2,1-2H3.

What are the key properties of 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?

6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 450.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxyethyl)-5-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidine-1-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 121155536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).