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

C25H23N5O4 — CID 135736768

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

2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135736768) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135736768
• Molecular Formula: C25H23N5O4
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.18
• IUPAC Name: 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(O)cc3)nn2C1c1ccc(C)o1
• InChI: InChI=1S/C25H23N5O4/c1-14-8-13-20(34-14)22-21(24(32)27-18-6-4-5-7-19(18)33-3)15(2)26-25-28-23(29-30(22)25)16-9-11-17(31)12-10-16/h4-13,22,31H,1-3H3,(H,27,32)(H,26,28,29)
• InChIKey: JPCHAXDBZWRIOD-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 114.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135736768) is 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(O)cc3)nn2C1c1ccc(C)o1.

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

The InChIKey is JPCHAXDBZWRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-14-8-13-20(34-14)22-21(24(32)27-18-6-4-5-7-19(18)33-3)15(2)26-25-28-23(29-30(22)25)16-9-11-17(31)12-10-16/h4-13,22,31H,1-3H3,(H,27,32)(H,26,28,29).

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

2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135736768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).