4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide

C23H23N5O4 — CID 50748719

About 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide

4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (PubChem CID 50748719) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
• PubChem CID: 50748719
• Molecular Formula: C23H23N5O4
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.18
• IUPAC Name: 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1
• InChI: InChI=1S/C23H23N5O4/c1-15(2)27-14-24-23-26-18(12-21(29)28(23)27)13-32-20-10-6-17(7-11-20)25-22(30)16-4-8-19(31-3)9-5-16/h4-12,14-15H,13H2,1-3H3,(H,25,30)
• InChIKey: YLJDURUXZMAWSN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?

The IUPAC name of 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (CID 50748719) is 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?

The canonical SMILES for 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1.

What is the InChIKey of 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?

The InChIKey is YLJDURUXZMAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-15(2)27-14-24-23-26-18(12-21(29)28(23)27)13-32-20-10-6-17(7-11-20)25-22(30)16-4-8-19(31-3)9-5-16/h4-12,14-15H,13H2,1-3H3,(H,25,30).

What are the key properties of 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?

4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide has a molecular weight of 433.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 50748719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).