diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate

C23H25N3O5 — CID 52946243

IUPACdiethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
SMILESCCOC(=O)c1cn2nc(N3CCOCC3)cc(-c3ccccc3)c2c1C(=O)OCC
InChIInChI=1S/C23H25N3O5/c1-3-30-22(27)18-15-26-21(20(18)23(28)31-4-2)17(16-8-6-5-7-9-16)14-19(24-26)25-10-12-29-13-11-25/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyRVYKEFOVSHIALN-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.19
Rot. Bonds6

About diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate

diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate (PubChem CID 52946243) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
PubChem CID52946243
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namediethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
SMILESCCOC(=O)c1cn2nc(N3CCOCC3)cc(-c3ccccc3)c2c1C(=O)OCC
InChIInChI=1S/C23H25N3O5/c1-3-30-22(27)18-15-26-21(20(18)23(28)31-4-2)17(16-8-6-5-7-9-16)14-19(24-26)25-10-12-29-13-11-25/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyRVYKEFOVSHIALN-UHFFFAOYSA-N
XLogP3.19
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Diethyl 2-morpholino-4-phenyl-7-propylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 11662701
Diethyl 2-morpholino-4,7-diphenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 11785312
Diethyl 7-allyl-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 25207743
Ethyl 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-morpholino-4-phenyl-7-propylpyrrolo[1,2-b]pyridazine-5-carboxylate
CID 49800157
Diethyl 2-morpholino-4-phenyl-7-(3,3,3-trifluoropropyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52940751
Diethyl 7-butyl-2-morpholino-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52941984
Diethyl 7-(4-aminophenyl)-2-morpholino-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52942491
Diethyl 7-(biphenyl-4-yl)-2-morpholino-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52942635
Diethyl 7-methyl-2-morpholino-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52942652
Diethyl 2-morpholino-7-pentyl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52943202
Ethyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-morpholino-4-phenyl-7-propylpyrrolo[1,2-b]pyridazine-5-carboxylate
CID 52943363
Diethyl 7-(methoxymethyl)-2-morpholino-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52943385

Frequently Asked Questions

What is the IUPAC name of diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
The IUPAC name of diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate (CID 52946243) is diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate.
What is the SMILES notation for diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
The canonical SMILES for diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate is CCOC(=O)c1cn2nc(N3CCOCC3)cc(-c3ccccc3)c2c1C(=O)OCC.
What is the InChIKey of diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
The InChIKey is RVYKEFOVSHIALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-3-30-22(27)18-15-26-21(20(18)23(28)31-4-2)17(16-8-6-5-7-9-16)14-19(24-26)25-10-12-29-13-11-25/h5-9,14-15H,3-4,10-13H2,1-2H3.
What are the key properties of diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate has a molecular weight of 423.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate is sourced from PubChem (CID 52946243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).