4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine

C101H128N18O6 — CID 158248057

About 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine

4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 158248057) has the molecular formula C101H128N18O6 and a molecular weight of 1690.25 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine
• PubChem CID: 158248057
• Molecular Formula: C101H128N18O6
• Molecular Weight: 1690.25 g/mol
• Exact Mass: 1689.03
• IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CC(C)CC(C)C4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccc5OC)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCN(CC)CC)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(OC)cc4)c3c2C)cc1
• InChI: InChI=1S/C28H33N5O2.C25H28N4O2.C24H35N5O.C24H32N4O/c1-6-35-23-13-11-22(12-14-23)33-20(3)26-19(2)29-30-28(27(26)21(33)4)32-17-15-31(16-18-32)24-9-7-8-10-25(24)34-5;1-6-31-22-13-9-20(10-14-22)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-7-11-21(30-5)12-8-19;1-7-28(8-2)16-10-15-25-24-23-19(6)29(18(5)22(23)17(4)26-27-24)20-11-13-21(14-12-20)30-9-3;1-7-29-21-10-8-20(9-11-21)28-18(5)22-17(4)25-26-24(23(22)19(28)6)27-13-15(2)12-16(3)14-27/h7-14H,6,15-18H2,1-5H3;7-14H,6,15H2,1-5H3,(H,26,28);11-14H,7-10,15-16H2,1-6H3,(H,25,27);8-11,15-16H,7,12-14H2,1-6H3
• InChIKey: GGJHEOFFFNLDLH-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 215.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.25
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine?

The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine (CID 158248057) is 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine.

What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine?

The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CC(C)CC(C)C4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccc5OC)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCN(CC)CC)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(OC)cc4)c3c2C)cc1.

What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine?

The InChIKey is GGJHEOFFFNLDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.C25H28N4O2.C24H35N5O.C24H32N4O/c1-6-35-23-13-11-22(12-14-23)33-20(3)26-19(2)29-30-28(27(26)21(33)4)32-17-15-31(16-18-32)24-9-7-8-10-25(24)34-5;1-6-31-22-13-9-20(10-14-22)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-7-11-21(30-5)12-8-19;1-7-28(8-2)16-10-15-25-24-23-19(6)29(18(5)22(23)17(4)26-27-24)20-11-13-21(14-12-20)30-9-3;1-7-29-21-10-8-20(9-11-21)28-18(5)22-17(4)25-26-24(23(22)19(28)6)27-13-15(2)12-16(3)14-27/h7-14H,6,15-18H2,1-5H3;7-14H,6,15H2,1-5H3,(H,26,28);11-14H,7-10,15-16H2,1-6H3,(H,25,27);8-11,15-16H,7,12-14H2,1-6H3.

What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine?

4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 1690.25 g/mol, XLogP of 20.56, 27 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 158248057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).