2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide

C28H31N5O3 — CID 178132288

About 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide

2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 178132288) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 178132288
• Molecular Formula: C28H31N5O3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.24
• IUPAC Name: 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)Cn2c(C)c(C(C)C)c(=O)n3nc(-c4ccc(C5(CO)CC5)cc4)nc23)cc1
• InChI: InChI=1S/C28H31N5O3/c1-17(2)24-19(4)32(15-23(35)29-22-11-5-18(3)6-12-22)27-30-25(31-33(27)26(24)36)20-7-9-21(10-8-20)28(16-34)13-14-28/h5-12,17,34H,13-16H2,1-4H3,(H,29,35)
• InChIKey: MNESSYAXBMCCGC-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 101.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide (CID 178132288) is 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(C)c(C(C)C)c(=O)n3nc(-c4ccc(C5(CO)CC5)cc4)nc23)cc1.

What is the InChIKey of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is MNESSYAXBMCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-17(2)24-19(4)32(15-23(35)29-22-11-5-18(3)6-12-22)27-30-25(31-33(27)26(24)36)20-7-9-21(10-8-20)28(16-34)13-14-28/h5-12,17,34H,13-16H2,1-4H3,(H,29,35).

What are the key properties of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide?

2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 485.59 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 178132288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).