6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine

C98H116N18O7 — CID 158774722

About 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158774722) has the molecular formula C98H116N18O7 and a molecular weight of 1658.12 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 158774722
• Molecular Formula: C98H116N18O7
• Molecular Weight: 1658.12 g/mol
• Exact Mass: 1656.93
• IUPAC Name: 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C=O)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)CC)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccccc45)c3c2C)c(OC)c1
• InChI: InChI=1S/C29H30N4O2.C24H27N5O.C23H29N5O3.C22H30N4O/c1-6-35-23-14-15-25(26(16-23)34-5)33-19(3)27-18(2)31-32-29(28(27)20(33)4)30-17-22-12-9-11-21-10-7-8-13-24(21)22;1-6-30-21-12-10-20(11-13-21)29-17(4)22-16(3)27-28-24(23(22)18(29)5)25-14-19-9-7-8-15(2)26-19;1-6-31-18-7-8-19(20(13-18)30-5)28-16(3)21-15(2)24-25-23(22(21)17(28)4)27-11-9-26(14-29)10-12-27;1-7-14(3)13-23-22-21-17(6)26(16(5)20(21)15(4)24-25-22)18-9-11-19(12-10-18)27-8-2/h7-16H,6,17H2,1-5H3,(H,30,32);7-13H,6,14H2,1-5H3,(H,25,28);7-8,13-14H,6,9-12H2,1-5H3;9-12,14H,7-8,13H2,1-6H3,(H,23,25)
• InChIKey: IQIFKEVXUGNTJB-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 250.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.12
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine (CID 158774722) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C=O)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)CC)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccccc45)c3c2C)c(OC)c1.

What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is IQIFKEVXUGNTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2.C24H27N5O.C23H29N5O3.C22H30N4O/c1-6-35-23-14-15-25(26(16-23)34-5)33-19(3)27-18(2)31-32-29(28(27)20(33)4)30-17-22-12-9-11-21-10-7-8-13-24(21)22;1-6-30-21-12-10-20(11-13-21)29-17(4)22-16(3)27-28-24(23(22)18(29)5)25-14-19-9-7-8-15(2)26-19;1-6-31-18-7-8-19(20(13-18)30-5)28-16(3)21-15(2)24-25-23(22(21)17(28)4)27-11-9-26(14-29)10-12-27;1-7-14(3)13-23-22-21-17(6)26(16(5)20(21)15(4)24-25-22)18-9-11-19(12-10-18)27-8-2/h7-16H,6,17H2,1-5H3,(H,30,32);7-13H,6,14H2,1-5H3,(H,25,28);7-8,13-14H,6,9-12H2,1-5H3;9-12,14H,7-8,13H2,1-6H3,(H,23,25).

What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1658.12 g/mol, XLogP of 19.81, 26 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158774722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).