4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid

C23H38N4O6Si — CID 145440435

About 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 145440435) has the molecular formula C23H38N4O6Si and a molecular weight of 494.67 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
• PubChem CID: 145440435
• Molecular Formula: C23H38N4O6Si
• Molecular Weight: 494.67 g/mol
• Exact Mass: 494.26
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
• SMILES: C[C@H]1Cn2ncc(N3CC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C3=O)c2CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C23H38N4O6Si/c1-14-11-27-17(13-25(14)21(31)32-22(2,3)4)16(10-24-27)26-12-15(20(29)30)18(19(26)28)33-34(8,9)23(5,6)7/h10,14-15,18H,11-13H2,1-9H3,(H,29,30)/t14-,15?,18?/m0/s1
• InChIKey: HQZREFQNEWCIMA-SYJJWHGVSA-N
• XLogP: 3.46
• TPSA: 114.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.67
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 145440435) is 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid is C[C@H]1Cn2ncc(N3CC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C3=O)c2CN1C(=O)OC(C)(C)C.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?

The InChIKey is HQZREFQNEWCIMA-SYJJWHGVSA-N. The full InChI is InChI=1S/C23H38N4O6Si/c1-14-11-27-17(13-25(14)21(31)32-22(2,3)4)16(10-24-27)26-12-15(20(29)30)18(19(26)28)33-34(8,9)23(5,6)7/h10,14-15,18H,11-13H2,1-9H3,(H,29,30)/t14-,15?,18?/m0/s1.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?

4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 494.67 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 145440435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).