N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride

C26H27Cl2F3N6O3 — CID 177322522

About N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride (PubChem CID 177322522) has the molecular formula C26H27Cl2F3N6O3 and a molecular weight of 599.44 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride
• PubChem CID: 177322522
• Molecular Formula: C26H27Cl2F3N6O3
• Molecular Weight: 599.44 g/mol
• Exact Mass: 598.15
• IUPAC Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride
• SMILES: CCc1c(C2=CCCCN2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.Cl
• InChI: InChI=1S/C26H26ClF3N6O3.ClH/c1-2-20-22(19-5-3-4-10-31-19)24(38)36-25(33-23(34-36)15-8-11-39-12-9-15)35(20)14-21(37)32-18-7-6-16(13-17(18)27)26(28,29)30;/h5-8,13,31H,2-4,9-12,14H2,1H3,(H,32,37);1H
• InChIKey: JNNLESDOKVFBAH-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 102.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.44
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride?

The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride (CID 177322522) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride.

What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride?

The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride is CCc1c(C2=CCCCN2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.Cl.

What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride?

The InChIKey is JNNLESDOKVFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N6O3.ClH/c1-2-20-22(19-5-3-4-10-31-19)24(38)36-25(33-23(34-36)15-8-11-39-12-9-15)35(20)14-21(37)32-18-7-6-16(13-17(18)27)26(28,29)30;/h5-8,13,31H,2-4,9-12,14H2,1H3,(H,32,37);1H.

What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride?

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride has a molecular weight of 599.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-(1,2,3,4-tetrahydropyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 177322522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).