4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide

C24H22F3N3O4 — CID 71522392

About 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide

4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide (PubChem CID 71522392) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide
• PubChem CID: 71522392
• Molecular Formula: C24H22F3N3O4
• Molecular Weight: 473.45 g/mol
• Exact Mass: 473.16
• IUPAC Name: 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(-c2c(-c3cccc(OC(F)(F)F)c3)cc3n2C(CCO)CNC3=O)cc1
• InChI: InChI=1S/C24H22F3N3O4/c1-28-22(32)15-7-5-14(6-8-15)21-19(16-3-2-4-18(11-16)34-24(25,26)27)12-20-23(33)29-13-17(9-10-31)30(20)21/h2-8,11-12,17,31H,9-10,13H2,1H3,(H,28,32)(H,29,33)
• InChIKey: HYSKVGJVSDFOHZ-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 92.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.45
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide?

The IUPAC name of 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide (CID 71522392) is 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide.

What is the SMILES notation for 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide?

The canonical SMILES for 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2c(-c3cccc(OC(F)(F)F)c3)cc3n2C(CCO)CNC3=O)cc1.

What is the InChIKey of 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide?

The InChIKey is HYSKVGJVSDFOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-28-22(32)15-7-5-14(6-8-15)21-19(16-3-2-4-18(11-16)34-24(25,26)27)12-20-23(33)29-13-17(9-10-31)30(20)21/h2-8,11-12,17,31H,9-10,13H2,1H3,(H,28,32)(H,29,33).

What are the key properties of 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide?

4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide has a molecular weight of 473.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-hydroxyethyl)-1-oxo-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 71522392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).