4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one

C22H21N5O6 — CID 3711655

About 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one

4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one (PubChem CID 3711655) has the molecular formula C22H21N5O6 and a molecular weight of 451.44 g/mol. Its IUPAC name is 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one.

Molecular Properties

• Compound Name: 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one
• PubChem CID: 3711655
• Molecular Formula: C22H21N5O6
• Molecular Weight: 451.44 g/mol
• Exact Mass: 451.15
• IUPAC Name: 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one
• SMILES: Cc1cc(=O)oc2cc(OCC(=O)N3CCOC(COn4nnc5cccnc54)C3)ccc12
• InChI: InChI=1S/C22H21N5O6/c1-14-9-21(29)33-19-10-15(4-5-17(14)19)31-13-20(28)26-7-8-30-16(11-26)12-32-27-22-18(24-25-27)3-2-6-23-22/h2-6,9-10,16H,7-8,11-13H2,1H3
• InChIKey: GMOPASLHTJDPPA-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 121.81 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.44
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one?

The IUPAC name of 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one (CID 3711655) is 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one.

What is the SMILES notation for 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one?

The canonical SMILES for 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)N3CCOC(COn4nnc5cccnc54)C3)ccc12.

What is the InChIKey of 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one?

The InChIKey is GMOPASLHTJDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O6/c1-14-9-21(29)33-19-10-15(4-5-17(14)19)31-13-20(28)26-7-8-30-16(11-26)12-32-27-22-18(24-25-27)3-2-6-23-22/h2-6,9-10,16H,7-8,11-13H2,1H3.

What are the key properties of 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one?

4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one has a molecular weight of 451.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one is sourced from PubChem (CID 3711655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).