potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine

C144H163F3KN25O8 — CID 162200897

IUPACpotassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cn1.CCOc1ccc(-n2c(C)c3c(C)nnc(CCC(=O)[O-])c3c2C)cc1.CCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C.Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(O)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(C)c12.[K+]
InChIInChI=1S/C20H23N3O3.2C19H23N3.2C18H21N3O.C17H16F3N3O.C17H20N4O.C16H17N3O.K/c1-5-26-16-8-6-15(7-9-16)23-13(3)19-12(2)21-22-17(10-11-18(24)25)20(19)14(23)4;2*1-11(2)16-7-9-17(10-8-16)22-14(5)18-12(3)20-21-13(4)19(18)15(22)6;1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5;1-6-22-16-10-8-7-9-15(16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5;1-9-15-11(3)23(12(4)16(15)10(2)22-21-9)13-5-7-14(8-6-13)24-17(18,19)20;1-6-22-15-8-7-14(9-18-15)21-12(4)16-10(2)19-20-11(3)17(16)13(21)5;1-9-15-11(3)19(13-5-7-14(20)8-6-13)12(4)16(15)10(2)18-17-9;/h6-9H,5,10-11H2,1-4H3,(H,24,25);2*7-11H,1-6H3;2*7-10H,6H2,1-5H3;5-8H,1-4H3;7-9H,6H2,1-5H3;5-8,20H,1-4H3;/q;;;;;;;;+1/p-1
InChIKeyIKPUCFUUFZZWPG-UHFFFAOYSA-M
MW2468.15 g/mol
LogP28.45
Rot. Bonds22

About potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine

potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine (PubChem CID 162200897) has the molecular formula C144H163F3KN25O8 and a molecular weight of 2468.15 g/mol. Its IUPAC name is potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Namepotassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine
PubChem CID162200897
Molecular FormulaC144H163F3KN25O8
Molecular Weight2468.15 g/mol
Exact Mass2466.27
IUPAC Namepotassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cn1.CCOc1ccc(-n2c(C)c3c(C)nnc(CCC(=O)[O-])c3c2C)cc1.CCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C.Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(O)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(C)c12.[K+]
InChIInChI=1S/C20H23N3O3.2C19H23N3.2C18H21N3O.C17H16F3N3O.C17H20N4O.C16H17N3O.K/c1-5-26-16-8-6-15(7-9-16)23-13(3)19-12(2)21-22-17(10-11-18(24)25)20(19)14(23)4;2*1-11(2)16-7-9-17(10-8-16)22-14(5)18-12(3)20-21-13(4)19(18)15(22)6;1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5;1-6-22-16-10-8-7-9-15(16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5;1-9-15-11(3)23(12(4)16(15)10(2)22-21-9)13-5-7-14(8-6-13)24-17(18,19)20;1-6-22-15-8-7-14(9-18-15)21-12(4)16-10(2)19-20-11(3)17(16)13(21)5;1-9-15-11(3)19(13-5-7-14(20)8-6-13)12(4)16(15)10(2)18-17-9;/h6-9H,5,10-11H2,1-4H3,(H,24,25);2*7-11H,1-6H3;2*7-10H,6H2,1-5H3;5-8H,1-4H3;7-9H,6H2,1-5H3;5-8,20H,1-4H3;/q;;;;;;;;+1/p-1
InChIKeyIKPUCFUUFZZWPG-UHFFFAOYSA-M
XLogP28.45
TPSA365.08 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002468.15
LogP ≤ 528.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?
The IUPAC name of potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine (CID 162200897) is potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?
The canonical SMILES for potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cn1.CCOc1ccc(-n2c(C)c3c(C)nnc(CCC(=O)[O-])c3c2C)cc1.CCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C.Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(O)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(C)c12.[K+].
What is the InChIKey of potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?
The InChIKey is IKPUCFUUFZZWPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23N3O3.2C19H23N3.2C18H21N3O.C17H16F3N3O.C17H20N4O.C16H17N3O.K/c1-5-26-16-8-6-15(7-9-16)23-13(3)19-12(2)21-22-17(10-11-18(24)25)20(19)14(23)4;2*1-11(2)16-7-9-17(10-8-16)22-14(5)18-12(3)20-21-13(4)19(18)15(22)6;1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5;1-6-22-16-10-8-7-9-15(16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5;1-9-15-11(3)23(12(4)16(15)10(2)22-21-9)13-5-7-14(8-6-13)24-17(18,19)20;1-6-22-15-8-7-14(9-18-15)21-12(4)16-10(2)19-20-11(3)17(16)13(21)5;1-9-15-11(3)19(13-5-7-14(20)8-6-13)12(4)16(15)10(2)18-17-9;/h6-9H,5,10-11H2,1-4H3,(H,24,25);2*7-11H,1-6H3;2*7-10H,6H2,1-5H3;5-8H,1-4H3;7-9H,6H2,1-5H3;5-8,20H,1-4H3;/q;;;;;;;;+1/p-1.
What are the key properties of potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?
potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine has a molecular weight of 2468.15 g/mol, XLogP of 28.45, 22 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-(2-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;3-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]propanoate;6-(6-ethoxy-3-pyridinyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;bis(1,4,5,7-tetramethyl-6-(4-propan-2-ylphenyl)pyrrolo[3,4-d]pyridazine);4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 162200897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).