N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one

C103H114N18O11 — CID 159689510

About N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one

N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one (PubChem CID 159689510) has the molecular formula C103H114N18O11 and a molecular weight of 1780.16 g/mol. Its IUPAC name is N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one
• PubChem CID: 159689510
• Molecular Formula: C103H114N18O11
• Molecular Weight: 1780.16 g/mol
• Exact Mass: 1778.89
• IUPAC Name: N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N5CCNC5=O)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)COC5)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(OC)c4)c3c2C)c(OC)c1
• InChI: InChI=1S/C27H30N6O3.C26H28N4O3.C25H28N4O3.C25H28N4O2/c1-6-36-21-11-12-22(23(15-21)35-5)33-17(3)24-16(2)30-31-26(25(24)18(33)4)29-19-7-9-20(10-8-19)32-14-13-28-27(32)34;1-6-33-21-9-10-22(23(12-21)31-5)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-20-8-7-18-13-32-14-19(18)11-20;1-7-32-20-11-12-21(22(14-20)31-6)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-18-9-8-10-19(13-18)30-5;1-6-31-20-12-13-21(22(14-20)30-5)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-10-8-7-9-11-19/h7-12,15H,6,13-14H2,1-5H3,(H,28,34)(H,29,31);7-12H,6,13-14H2,1-5H3,(H,27,29);8-14H,7H2,1-6H3,(H,26,28);7-14H,6,15H2,1-5H3,(H,26,28)
• InChIKey: MWFOWHXTXQTVPX-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 295.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.16
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one?

The IUPAC name of N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one (CID 159689510) is N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one.

What is the SMILES notation for N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one?

The canonical SMILES for N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one is CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N5CCNC5=O)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)COC5)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(OC)c4)c3c2C)c(OC)c1.

What is the InChIKey of N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one?

The InChIKey is MWFOWHXTXQTVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3.C26H28N4O3.C25H28N4O3.C25H28N4O2/c1-6-36-21-11-12-22(23(15-21)35-5)33-17(3)24-16(2)30-31-26(25(24)18(33)4)29-19-7-9-20(10-8-19)32-14-13-28-27(32)34;1-6-33-21-9-10-22(23(12-21)31-5)30-16(3)24-15(2)28-29-26(25(24)17(30)4)27-20-8-7-18-13-32-14-19(18)11-20;1-7-32-20-11-12-21(22(14-20)31-6)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-18-9-8-10-19(13-18)30-5;1-6-31-20-12-13-21(22(14-20)30-5)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-10-8-7-9-11-19/h7-12,15H,6,13-14H2,1-5H3,(H,28,34)(H,29,31);7-12H,6,13-14H2,1-5H3,(H,27,29);8-14H,7H2,1-6H3,(H,26,28);7-14H,6,15H2,1-5H3,(H,26,28).

What are the key properties of N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one?

N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one has a molecular weight of 1780.16 g/mol, XLogP of 21.42, 27 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[4-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 159689510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).