3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

C24H24F3N5O5 — CID 170350863

About 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 170350863) has the molecular formula C24H24F3N5O5 and a molecular weight of 519.48 g/mol. Its IUPAC name is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
• PubChem CID: 170350863
• Molecular Formula: C24H24F3N5O5
• Molecular Weight: 519.48 g/mol
• Exact Mass: 519.17
• IUPAC Name: 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
• SMILES: CN1CC[C@@](O)(c2cc(-c3cccc(-c4nc(C(=O)O)c5n4CCN(CCC(F)(F)F)C5)c3)no2)C1=O
• InChI: InChI=1S/C24H24F3N5O5/c1-30-7-5-23(36,22(30)35)18-12-16(29-37-18)14-3-2-4-15(11-14)20-28-19(21(33)34)17-13-31(9-10-32(17)20)8-6-24(25,26)27/h2-4,11-12,36H,5-10,13H2,1H3,(H,33,34)/t23-/m1/s1
• InChIKey: BWQQOMPMVGILLA-HSZRJFAPSA-N
• XLogP: 2.72
• TPSA: 124.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.48
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?

The IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 170350863) is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

What is the SMILES notation for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?

The canonical SMILES for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is CN1CC[C@@](O)(c2cc(-c3cccc(-c4nc(C(=O)O)c5n4CCN(CCC(F)(F)F)C5)c3)no2)C1=O.

What is the InChIKey of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?

The InChIKey is BWQQOMPMVGILLA-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24F3N5O5/c1-30-7-5-23(36,22(30)35)18-12-16(29-37-18)14-3-2-4-15(11-14)20-28-19(21(33)34)17-13-31(9-10-32(17)20)8-6-24(25,26)27/h2-4,11-12,36H,5-10,13H2,1H3,(H,33,34)/t23-/m1/s1.

What are the key properties of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 519.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 170350863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).