7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C28H26Br2N6O3 — CID 135661254

About 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135661254) has the molecular formula C28H26Br2N6O3 and a molecular weight of 654.36 g/mol. Its IUPAC name is 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135661254
• Molecular Formula: C28H26Br2N6O3
• Molecular Weight: 654.36 g/mol
• Exact Mass: 652.04
• IUPAC Name: 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCc1ccc(Br)cc1
• InChI: InChI=1S/C28H26Br2N6O3/c1-15-6-5-7-22(16(15)2)32-27(37)24-17(3)31-28-33-34-35-36(28)25(24)19-12-21(30)26(23(13-19)38-4)39-14-18-8-10-20(29)11-9-18/h5-13,25H,14H2,1-4H3,(H,32,37)(H,31,33,35)
• InChIKey: CZTTXPXADCYJMU-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.36
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135661254) is 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCc1ccc(Br)cc1.

What is the InChIKey of 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is CZTTXPXADCYJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Br2N6O3/c1-15-6-5-7-22(16(15)2)32-27(37)24-17(3)31-28-33-34-35-36(28)25(24)19-12-21(30)26(23(13-19)38-4)39-14-18-8-10-20(29)11-9-18/h5-13,25H,14H2,1-4H3,(H,32,37)(H,31,33,35).

What are the key properties of 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 654.36 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135661254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).