N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

C27H26N6O2 — CID 95060267

About N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 95060267) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
• PubChem CID: 95060267
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
• SMILES: CCOc1ccc(NC(=O)CN2C(c3ccc(C)cc3)=C[C@H](c3ccccc3)n3nnnc32)cc1
• InChI: InChI=1S/C27H26N6O2/c1-3-35-23-15-13-22(14-16-23)28-26(34)18-32-24(21-11-9-19(2)10-12-21)17-25(20-7-5-4-6-8-20)33-27(32)29-30-31-33/h4-17,25H,3,18H2,1-2H3,(H,28,34)/t25-/m1/s1
• InChIKey: UQMHTMKVCSVETD-RUZDIDTESA-N
• XLogP: 4.47
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 95060267) is N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is CCOc1ccc(NC(=O)CN2C(c3ccc(C)cc3)=C[C@H](c3ccccc3)n3nnnc32)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?

The InChIKey is UQMHTMKVCSVETD-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-35-23-15-13-22(14-16-23)28-26(34)18-32-24(21-11-9-19(2)10-12-21)17-25(20-7-5-4-6-8-20)33-27(32)29-30-31-33/h4-17,25H,3,18H2,1-2H3,(H,28,34)/t25-/m1/s1.

What are the key properties of N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?

N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 466.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 95060267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).