3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

C26H23N5O2 — CID 136721717

About 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide (PubChem CID 136721717) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
• PubChem CID: 136721717
• Molecular Formula: C26H23N5O2
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.19
• IUPAC Name: 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
• SMILES: COc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(C)cc2)C=C(c2ccccc2)N3)c1
• InChI: InChI=1S/C26H23N5O2/c1-17-11-13-19(14-12-17)23-16-22(18-7-4-3-5-8-18)27-26-29-25(30-31(23)26)28-24(32)20-9-6-10-21(15-20)33-2/h3-16,23H,1-2H3,(H2,27,28,29,30,32)/t23-/m1/s1
• InChIKey: VHHUGKCIXSVLGJ-HSZRJFAPSA-N
• XLogP: 4.90
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?

The IUPAC name of 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide (CID 136721717) is 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide.

What is the SMILES notation for 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?

The canonical SMILES for 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide is COc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(C)cc2)C=C(c2ccccc2)N3)c1.

What is the InChIKey of 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?

The InChIKey is VHHUGKCIXSVLGJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-17-11-13-19(14-12-17)23-16-22(18-7-4-3-5-8-18)27-26-29-25(30-31(23)26)28-24(32)20-9-6-10-21(15-20)33-2/h3-16,23H,1-2H3,(H2,27,28,29,30,32)/t23-/m1/s1.

What are the key properties of 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?

3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[(7R)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 136721717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).