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

C102H120Cl2N18O7 — CID 158764273

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

N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158764273) has the molecular formula C102H120Cl2N18O7 and a molecular weight of 1781.11 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 158764273
• Molecular Formula: C102H120Cl2N18O7
• Molecular Weight: 1781.11 g/mol
• Exact Mass: 1778.90
• IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC(C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccc5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCc4cccnc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4Cl)c3c2C)c(OC)c1
• InChI: InChI=1S/C28H33N5O2.C25H26Cl2N4O2.C25H29N5O.C24H32N4O2/c1-6-35-23-12-13-24(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;1-6-33-19-9-10-21(22(12-19)32-5)31-15(3)23-14(2)29-30-25(24(23)16(31)4)28-13-17-7-8-18(26)11-20(17)27;1-5-31-22-12-10-21(11-13-22)30-18(3)23-17(2)28-29-25(24(23)19(30)4)27-15-7-9-20-8-6-14-26-16-20;1-7-30-19-8-9-20(21(14-19)29-6)28-17(4)22-16(3)25-26-24(23(22)18(28)5)27-12-10-15(2)11-13-27/h7-13,18H,6,14-17H2,1-5H3;7-12H,6,13H2,1-5H3,(H,28,30);6,8,10-14,16H,5,7,9,15H2,1-4H3,(H,27,29);8-9,14-15H,7,10-13H2,1-6H3
• InChIKey: IPBDVZOYOHFMIP-UHFFFAOYSA-N
• XLogP: 21.93
• TPSA: 234.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.11
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 158764273) is N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine.

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

The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC(C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccc5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCc4cccnc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4Cl)c3c2C)c(OC)c1.

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

The InChIKey is IPBDVZOYOHFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.C25H26Cl2N4O2.C25H29N5O.C24H32N4O2/c1-6-35-23-12-13-24(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;1-6-33-19-9-10-21(22(12-19)32-5)31-15(3)23-14(2)29-30-25(24(23)16(31)4)28-13-17-7-8-18(26)11-20(17)27;1-5-31-22-12-10-21(11-13-22)30-18(3)23-17(2)28-29-25(24(23)19(30)4)27-15-7-9-20-8-6-14-26-16-20;1-7-30-19-8-9-20(21(14-19)29-6)28-17(4)22-16(3)25-26-24(23(22)18(28)5)27-12-10-15(2)11-13-27/h7-13,18H,6,14-17H2,1-5H3;7-12H,6,13H2,1-5H3,(H,28,30);6,8,10-14,16H,5,7,9,15H2,1-4H3,(H,27,29);8-9,14-15H,7,10-13H2,1-6H3.

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

N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1781.11 g/mol, XLogP of 21.93, 26 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dichlorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158764273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).