N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine

C101H121ClF3N19O10 — CID 159510258

About N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine

N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine (PubChem CID 159510258) has the molecular formula C101H121ClF3N19O10 and a molecular weight of 1853.65 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine
• PubChem CID: 159510258
• Molecular Formula: C101H121ClF3N19O10
• Molecular Weight: 1853.65 g/mol
• Exact Mass: 1851.92
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCn5cc(C(F)(F)F)nc5C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCN(CC)CC)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(Cl)c4)c3c2C)c(OC)c1.CCOc1cccc(Nc2nnc(C)c3c(C)n(-c4ccc(OCC)cc4OC)c(C)c23)c1
• InChI: InChI=1S/C26H30N4O3.C25H27ClN4O3.C25H27F3N6O2.C25H37N5O2/c1-7-32-20-11-9-10-19(14-20)27-26-25-18(5)30(17(4)24(25)16(3)28-29-26)22-13-12-21(33-8-2)15-23(22)31-6;1-7-33-18-9-10-20(22(13-18)32-6)30-15(3)23-14(2)28-29-25(24(23)16(30)4)27-17-8-11-21(31-5)19(26)12-17;1-6-36-17-7-8-18(19(11-17)35-5)34-15(3)22-14(2)30-31-24(23(22)16(34)4)33-10-9-32-12-20(25(26,27)28)29-21(32)13-33;1-8-29(9-2)15-11-14-26-25-24-19(6)30(18(5)23(24)17(4)27-28-25)21-13-12-20(32-10-3)16-22(21)31-7/h9-15H,7-8H2,1-6H3,(H,27,29);8-13H,7H2,1-6H3,(H,27,29);7-8,11-12H,6,9-10,13H2,1-5H3;12-13,16H,8-11,14-15H2,1-7H3,(H,26,28)
• InChIKey: MAMSWHIUWBSROG-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 275.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.65
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine (CID 159510258) is N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCn5cc(C(F)(F)F)nc5C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCN(CC)CC)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(Cl)c4)c3c2C)c(OC)c1.CCOc1cccc(Nc2nnc(C)c3c(C)n(-c4ccc(OCC)cc4OC)c(C)c23)c1.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine?

The InChIKey is MAMSWHIUWBSROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3.C25H27ClN4O3.C25H27F3N6O2.C25H37N5O2/c1-7-32-20-11-9-10-19(14-20)27-26-25-18(5)30(17(4)24(25)16(3)28-29-26)22-13-12-21(33-8-2)15-23(22)31-6;1-7-33-18-9-10-20(22(13-18)32-6)30-15(3)23-14(2)28-29-25(24(23)16(30)4)27-17-8-11-21(31-5)19(26)12-17;1-6-36-17-7-8-18(19(11-17)35-5)34-15(3)22-14(2)30-31-24(23(22)16(34)4)33-10-9-32-12-20(25(26,27)28)29-21(32)13-33;1-8-29(9-2)15-11-14-26-25-24-19(6)30(18(5)23(24)17(4)27-28-25)21-13-12-20(32-10-3)16-22(21)31-7/h9-15H,7-8H2,1-6H3,(H,27,29);8-13H,7H2,1-6H3,(H,27,29);7-8,11-12H,6,9-10,13H2,1-5H3;12-13,16H,8-11,14-15H2,1-7H3,(H,26,28).

What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine?

N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine has a molecular weight of 1853.65 g/mol, XLogP of 21.94, 31 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-N-(3-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 159510258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).