diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate

C24H24N2O6 — CID 15880041

IUPACdiethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N2C(=O)OC[C@@H](c3ccccc3)N2[C@H]1c1ccccc1
InChIInChI=1S/C24H24N2O6/c1-3-30-22(27)19-20(17-13-9-6-10-14-17)25-18(16-11-7-5-8-12-16)15-32-24(29)26(25)21(19)23(28)31-4-2/h5-14,18,20H,3-4,15H2,1-2H3/t18-,20-/m0/s1
InChIKeyONMIOXJHSRWKDR-ICSRJNTNSA-N
MW436.46 g/mol
LogP3.53
Rot. Bonds6

About diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate

diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate (PubChem CID 15880041) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
PubChem CID15880041
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namediethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N2C(=O)OC[C@@H](c3ccccc3)N2[C@H]1c1ccccc1
InChIInChI=1S/C24H24N2O6/c1-3-30-22(27)19-20(17-13-9-6-10-14-17)25-18(16-11-7-5-8-12-16)15-32-24(29)26(25)21(19)23(28)31-4-2/h5-14,18,20H,3-4,15H2,1-2H3/t18-,20-/m0/s1
InChIKeyONMIOXJHSRWKDR-ICSRJNTNSA-N
XLogP3.53
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (4S)-3-(2-ethoxy-2-oxoethyl)-1-ethyl-6-methyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 16745559
methyl 3-(2-ethoxy-2-oxoethyl)-1-ethyl-6-methyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 49858789
tetramethyl 7,7-diphenyl-1H-pyrazolo[1,2-a]pyrazole-2,3,5,6-tetracarboxylate
CID 13017112
Dimethyl 6-methyl-7-oxo-4,4-diphenyl-1,5-diazabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate
CID 13017114
tetramethyl 3-methyl-5,5-diphenyl-1H-pyrazolo[1,2-a]pyrazole-1,2,6,7-tetracarboxylate
CID 13017115
methyl (4R,6R,7R)-1-oxo-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate
CID 15880039
methyl (4R,6S,7R,8R)-8-methyl-1-oxo-4-phenyl-6-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate
CID 101195138
ethyl (2R,3R)-1-[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]-3-phenylaziridine-2-carboxylate
CID 101478832
2-O-ethyl 3-O,4-O-dimethyl (2R,5S)-1-[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]-5-phenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
CID 101478833
2-O-ethyl 3-O,4-O-dimethyl (2S,5R)-1-benzyl-5-phenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
CID 101762840
ethyl (1R,7R)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carboxylate
CID 101807638
dimethyl (1R,2R,7S)-2-morpholin-4-yl-3-oxo-1,7-diphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate
CID 102011115

Frequently Asked Questions

What is the IUPAC name of diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate?
The IUPAC name of diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate (CID 15880041) is diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate.
What is the SMILES notation for diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate?
The canonical SMILES for diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)N2C(=O)OC[C@@H](c3ccccc3)N2[C@H]1c1ccccc1.
What is the InChIKey of diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate?
The InChIKey is ONMIOXJHSRWKDR-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-3-30-22(27)19-20(17-13-9-6-10-14-17)25-18(16-11-7-5-8-12-16)15-32-24(29)26(25)21(19)23(28)31-4-2/h5-14,18,20H,3-4,15H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate?
diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate has a molecular weight of 436.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,6S)-1-oxo-4,6-diphenyl-4,6-dihydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate is sourced from PubChem (CID 15880041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).