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

C23H22F3N5O3S — CID 166629924

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

(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (PubChem CID 166629924) has the molecular formula C23H22F3N5O3S and a molecular weight of 505.52 g/mol. Its IUPAC name is (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.

Molecular Properties

• Compound Name: (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
• PubChem CID: 166629924
• Molecular Formula: C23H22F3N5O3S
• Molecular Weight: 505.52 g/mol
• Exact Mass: 505.14
• IUPAC Name: (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
• SMILES: C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C23H22F3N5O3S/c1-14-11-30-21(13-31(14)35(33,34)28-17-8-18(24)23(26)19(25)9-17)20(10-27-30)29-12-16(7-22(29)32)15-5-3-2-4-6-15/h2-6,8-10,14,16,28H,7,11-13H2,1H3/t14-,16?/m0/s1
• InChIKey: AQWXLDSFSPGTBQ-LBAUFKAWSA-N
• XLogP: 3.38
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.52
LogP ≤ 5	3.38
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 (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?

The IUPAC name of (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (CID 166629924) is (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.

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

The canonical SMILES for (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is C[C@H]1Cn2ncc(N3CC(c4ccccc4)CC3=O)c2CN1S(=O)(=O)Nc1cc(F)c(F)c(F)c1.

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

The InChIKey is AQWXLDSFSPGTBQ-LBAUFKAWSA-N. The full InChI is InChI=1S/C23H22F3N5O3S/c1-14-11-30-21(13-31(14)35(33,34)28-17-8-18(24)23(26)19(25)9-17)20(10-27-30)29-12-16(7-22(29)32)15-5-3-2-4-6-15/h2-6,8-10,14,16,28H,7,11-13H2,1H3/t14-,16?/m0/s1.

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

(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide has a molecular weight of 505.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is sourced from PubChem (CID 166629924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).