(6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C26H33F3N6O3Si — CID 131749263

About (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131749263) has the molecular formula C26H33F3N6O3Si and a molecular weight of 562.67 g/mol. Its IUPAC name is (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 131749263
• Molecular Formula: C26H33F3N6O3Si
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.23
• IUPAC Name: (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: C[C@H]1Cn2ncc(N3CC(C#N)(CO[Si](C)(C)C(C)(C)C)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C26H33F3N6O3Si/c1-16-11-35-21(12-33(16)24(37)32-17-7-18(27)23(29)19(28)8-17)20(10-31-35)34-14-26(13-30,9-22(34)36)15-38-39(5,6)25(2,3)4/h7-8,10,16H,9,11-12,14-15H2,1-6H3,(H,32,37)/t16-,26?/m0/s1
• InChIKey: DTARTDIHVGUQDC-AJWVYOOVSA-N
• XLogP: 5.01
• TPSA: 103.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 131749263) is (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC(C#N)(CO[Si](C)(C)C(C)(C)C)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.

What is the InChIKey of (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is DTARTDIHVGUQDC-AJWVYOOVSA-N. The full InChI is InChI=1S/C26H33F3N6O3Si/c1-16-11-35-21(12-33(16)24(37)32-17-7-18(27)23(29)19(28)8-17)20(10-31-35)34-14-26(13-30,9-22(34)36)15-38-39(5,6)25(2,3)4/h7-8,10,16H,9,11-12,14-15H2,1-6H3,(H,32,37)/t16-,26?/m0/s1.

What are the key properties of (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyano-2-oxopyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131749263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).