4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine

C105H124Cl2N18O7S — CID 157155855

About 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine

4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 157155855) has the molecular formula C105H124Cl2N18O7S and a molecular weight of 1853.24 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 157155855
• Molecular Formula: C105H124Cl2N18O7S
• Molecular Weight: 1853.24 g/mol
• Exact Mass: 1850.90
• IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C5CCCCC5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(OC)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(SC)cc4)c3c2C)cc1
• InChI: InChI=1S/C28H31Cl2N5O2.C28H39N5O2.C25H28N4O2.C24H26N4OS/c1-6-37-21-8-10-24(25(16-21)36-5)35-18(3)26-17(2)31-32-28(27(26)19(35)4)34-13-11-33(12-14-34)20-7-9-22(29)23(30)15-20;1-6-35-23-12-13-24(25(18-23)34-5)33-20(3)26-19(2)29-30-28(27(26)21(33)4)32-16-14-31(15-17-32)22-10-8-7-9-11-22;1-6-31-21-12-10-20(11-13-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-8-7-9-22(14-19)30-5;1-6-29-20-11-9-19(10-12-20)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-13-21(30-5)14-8-18/h7-10,15-16H,6,11-14H2,1-5H3;12-13,18,22H,6-11,14-17H2,1-5H3;7-14H,6,15H2,1-5H3,(H,26,28);7-14H,6H2,1-5H3,(H,25,27)
• InChIKey: ALUILYSBZBDWIX-UHFFFAOYSA-N
• XLogP: 23.17
• TPSA: 224.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.24
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 157155855) is 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C5CCCCC5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(OC)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(SC)cc4)c3c2C)cc1.

What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is ALUILYSBZBDWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N5O2.C28H39N5O2.C25H28N4O2.C24H26N4OS/c1-6-37-21-8-10-24(25(16-21)36-5)35-18(3)26-17(2)31-32-28(27(26)19(35)4)34-13-11-33(12-14-34)20-7-9-22(29)23(30)15-20;1-6-35-23-12-13-24(25(18-23)34-5)33-20(3)26-19(2)29-30-28(27(26)21(33)4)32-16-14-31(15-17-32)22-10-8-7-9-11-22;1-6-31-21-12-10-20(11-13-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-8-7-9-22(14-19)30-5;1-6-29-20-11-9-19(10-12-20)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-13-21(30-5)14-8-18/h7-10,15-16H,6,11-14H2,1-5H3;12-13,18,22H,6-11,14-17H2,1-5H3;7-14H,6,15H2,1-5H3,(H,26,28);7-14H,6H2,1-5H3,(H,25,27).

What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine?

4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1853.24 g/mol, XLogP of 23.17, 25 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclohexylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 157155855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).