diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate

C25H29N3O6 — CID 52943385

IUPACdiethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1COC
InChIInChI=1S/C25H29N3O6/c1-4-33-24(29)21-19(16-31-3)28-23(22(21)25(30)34-5-2)18(17-9-7-6-8-10-17)15-20(26-28)27-11-13-32-14-12-27/h6-10,15H,4-5,11-14,16H2,1-3H3
InChIKeyOIFLBPHEULNEGU-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.34
Rot. Bonds8

About diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate

diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate (PubChem CID 52943385) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
PubChem CID52943385
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Namediethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1COC
InChIInChI=1S/C25H29N3O6/c1-4-33-24(29)21-19(16-31-3)28-23(22(21)25(30)34-5-2)18(17-9-7-6-8-10-17)15-20(26-28)27-11-13-32-14-12-27/h6-10,15H,4-5,11-14,16H2,1-3H3
InChIKeyOIFLBPHEULNEGU-UHFFFAOYSA-N
XLogP3.34
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
The IUPAC name of diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate (CID 52943385) is diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate.
What is the SMILES notation for diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
The canonical SMILES for diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate is CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1COC.
What is the InChIKey of diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
The InChIKey is OIFLBPHEULNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-4-33-24(29)21-19(16-31-3)28-23(22(21)25(30)34-5-2)18(17-9-7-6-8-10-17)15-20(26-28)27-11-13-32-14-12-27/h6-10,15H,4-5,11-14,16H2,1-3H3.
What are the key properties of diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate?
diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate has a molecular weight of 467.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-(methoxymethyl)-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate is sourced from PubChem (CID 52943385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).