tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C32H33F3N6O7 — CID 134250445

IUPACtert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(N3CC(N4CCOC4=O)CC3=O)cnn2C[C@@H]1Cc1cccc(OC(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C32H33F3N6O7/c1-32(2,3)48-31(45)39-17-26-25(40-15-21(13-27(40)42)38-7-8-46-30(38)44)14-36-41(26)16-20(39)9-18-5-4-6-22(10-18)47-29(43)37-19-11-23(33)28(35)24(34)12-19/h4-6,10-12,14,20-21H,7-9,13,15-17H2,1-3H3,(H,37,43)/t20-,21?/m0/s1
InChIKeyVZOZWNWDJGDXIR-BGERDNNASA-N
MW670.65 g/mol
LogP4.83
Rot. Bonds6

About tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134250445) has the molecular formula C32H33F3N6O7 and a molecular weight of 670.65 g/mol. Its IUPAC name is tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134250445
Molecular FormulaC32H33F3N6O7
Molecular Weight670.65 g/mol
Exact Mass670.24
IUPAC Nametert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(N3CC(N4CCOC4=O)CC3=O)cnn2C[C@@H]1Cc1cccc(OC(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C32H33F3N6O7/c1-32(2,3)48-31(45)39-17-26-25(40-15-21(13-27(40)42)38-7-8-46-30(38)44)14-36-41(26)16-20(39)9-18-5-4-6-22(10-18)47-29(43)37-19-11-23(33)28(35)24(34)12-19/h4-6,10-12,14,20-21H,7-9,13,15-17H2,1-3H3,(H,37,43)/t20-,21?/m0/s1
InChIKeyVZOZWNWDJGDXIR-BGERDNNASA-N
XLogP4.83
TPSA135.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.65
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134250445) is tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1Cc2c(N3CC(N4CCOC4=O)CC3=O)cnn2C[C@@H]1Cc1cccc(OC(=O)Nc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is VZOZWNWDJGDXIR-BGERDNNASA-N. The full InChI is InChI=1S/C32H33F3N6O7/c1-32(2,3)48-31(45)39-17-26-25(40-15-21(13-27(40)42)38-7-8-46-30(38)44)14-36-41(26)16-20(39)9-18-5-4-6-22(10-18)47-29(43)37-19-11-23(33)28(35)24(34)12-19/h4-6,10-12,14,20-21H,7-9,13,15-17H2,1-3H3,(H,37,43)/t20-,21?/m0/s1.
What are the key properties of tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 670.65 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6-[[3-[(3,4,5-trifluorophenyl)carbamoyloxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134250445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).