2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide

C25H24F3N5O2 — CID 166635857

About 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide

2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 166635857) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide
• PubChem CID: 166635857
• Molecular Formula: C25H24F3N5O2
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.19
• IUPAC Name: 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide
• SMILES: C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1CC(=O)Nc1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C25H24F3N5O2/c1-15-11-33-22(13-31(15)14-23(34)30-18-8-19(26)25(28)20(27)9-18)21(10-29-33)32-12-17(7-24(32)35)16-5-3-2-4-6-16/h2-6,8-10,15,17H,7,11-14H2,1H3,(H,30,34)/t15-,17?/m0/s1
• InChIKey: YOIYAKUJIAVJRO-MYJWUSKBSA-N
• XLogP: 3.66
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide?

The IUPAC name of 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide (CID 166635857) is 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide.

What is the SMILES notation for 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide?

The canonical SMILES for 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide is C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1CC(=O)Nc1cc(F)c(F)c(F)c1.

What is the InChIKey of 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide?

The InChIKey is YOIYAKUJIAVJRO-MYJWUSKBSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15-11-33-22(13-31(15)14-23(34)30-18-8-19(26)25(28)20(27)9-18)21(10-29-33)32-12-17(7-24(32)35)16-5-3-2-4-6-16/h2-6,8-10,15,17H,7,11-14H2,1H3,(H,30,34)/t15-,17?/m0/s1.

What are the key properties of 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide?

2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 483.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 166635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).