7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C29H29N5O6 — CID 135832441

About 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135832441) has the molecular formula C29H29N5O6 and a molecular weight of 543.58 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135832441
• Molecular Formula: C29H29N5O6
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.21
• IUPAC Name: 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2C1c1cccc(O)c1
• InChI: InChI=1S/C29H29N5O6/c1-16-24(28(36)31-20-11-6-7-12-21(20)37-2)25(17-9-8-10-19(35)13-17)34-29(30-16)32-27(33-34)18-14-22(38-3)26(40-5)23(15-18)39-4/h6-15,25,35H,1-5H3,(H,31,36)(H,30,32,33)
• InChIKey: DGUWESONFUNOLI-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 128.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135832441) is 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2C1c1cccc(O)c1.

What is the InChIKey of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is DGUWESONFUNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O6/c1-16-24(28(36)31-20-11-6-7-12-21(20)37-2)25(17-9-8-10-19(35)13-17)34-29(30-16)32-27(33-34)18-14-22(38-3)26(40-5)23(15-18)39-4/h6-15,25,35H,1-5H3,(H,31,36)(H,30,32,33).

What are the key properties of 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 543.58 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135832441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).