6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine

C121H142N22O10S — CID 162166966

About 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 162166966) has the molecular formula C121H142N22O10S and a molecular weight of 2096.68 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 162166966
• Molecular Formula: C121H142N22O10S
• Molecular Weight: 2096.68 g/mol
• Exact Mass: 2095.10
• IUPAC Name: 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCc4cccnc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccccn4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(SC)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)c(OC)c1
• InChI: InChI=1S/C26H31N5O2.C25H29N5O2.C25H28N4O2S.C24H26N4O2.C21H28N4O2/c1-6-33-21-11-12-22(23(15-21)32-5)31-18(3)24-17(2)29-30-26(25(24)19(31)4)28-14-8-10-20-9-7-13-27-16-20;1-6-32-20-10-11-21(22(15-20)31-5)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-14-12-19-9-7-8-13-26-19;1-7-31-19-10-13-21(22(14-19)30-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-18-8-11-20(32-6)12-9-18;1-6-30-19-12-13-20(21(14-19)29-5)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-10-8-7-9-11-18;1-8-27-16-9-10-17(18(11-16)26-7)25-14(5)19-13(4)23-24-21(22-12(2)3)20(19)15(25)6/h7,9,11-13,15-16H,6,8,10,14H2,1-5H3,(H,28,30);7-11,13,15H,6,12,14H2,1-5H3,(H,27,29);8-14H,7H2,1-6H3,(H,26,28);7-14H,6H2,1-5H3,(H,25,27);9-12H,8H2,1-7H3,(H,22,24)
• InChIKey: ZNGLJKHAOMETGY-UHFFFAOYSA-N
• XLogP: 26.28
• TPSA: 331.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.68
LogP ≤ 5	26.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 162166966) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)C)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCc4cccnc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccccn4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(SC)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)c(OC)c1.

What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is ZNGLJKHAOMETGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2.C25H29N5O2.C25H28N4O2S.C24H26N4O2.C21H28N4O2/c1-6-33-21-11-12-22(23(15-21)32-5)31-18(3)24-17(2)29-30-26(25(24)19(31)4)28-14-8-10-20-9-7-13-27-16-20;1-6-32-20-10-11-21(22(15-20)31-5)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-14-12-19-9-7-8-13-26-19;1-7-31-19-10-13-21(22(14-19)30-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-18-8-11-20(32-6)12-9-18;1-6-30-19-12-13-20(21(14-19)29-5)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-10-8-7-9-11-18;1-8-27-16-9-10-17(18(11-16)26-7)25-14(5)19-13(4)23-24-21(22-12(2)3)20(19)15(25)6/h7,9,11-13,15-16H,6,8,10,14H2,1-5H3,(H,28,30);7-11,13,15H,6,12,14H2,1-5H3,(H,27,29);8-14H,7H2,1-6H3,(H,26,28);7-14H,6H2,1-5H3,(H,25,27);9-12H,8H2,1-7H3,(H,22,24).

What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine?

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 2096.68 g/mol, XLogP of 26.28, 36 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-methylsulfanylphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-phenylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-pyridin-3-ylpropyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 162166966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).