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

C28H28N6O5 — CID 135813601

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

2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135813601) has the molecular formula C28H28N6O5 and a molecular weight of 528.57 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135813601
• Molecular Formula: C28H28N6O5
• Molecular Weight: 528.57 g/mol
• Exact Mass: 528.21
• IUPAC Name: 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COc1cccc(-c2nc3n(n2)C(c2cc(OC)c(OC)cc2OC)C(C(=O)Nc2cccnc2)=C(C)N3)c1
• InChI: InChI=1S/C28H28N6O5/c1-16-24(27(35)31-18-9-7-11-29-15-18)25(20-13-22(38-4)23(39-5)14-21(20)37-3)34-28(30-16)32-26(33-34)17-8-6-10-19(12-17)36-2/h6-15,25H,1-5H3,(H,31,35)(H,30,32,33)
• InChIKey: MCIJLWHDMSPFNF-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 121.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.57
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135813601) is 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccc(-c2nc3n(n2)C(c2cc(OC)c(OC)cc2OC)C(C(=O)Nc2cccnc2)=C(C)N3)c1.

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

The InChIKey is MCIJLWHDMSPFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O5/c1-16-24(27(35)31-18-9-7-11-29-15-18)25(20-13-22(38-4)23(39-5)14-21(20)37-3)34-28(30-16)32-26(33-34)17-8-6-10-19(12-17)36-2/h6-15,25H,1-5H3,(H,31,35)(H,30,32,33).

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

2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 528.57 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135813601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).