6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde

C113H142N24O7 — CID 157097943

About 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde (PubChem CID 157097943) has the molecular formula C113H142N24O7 and a molecular weight of 1948.54 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

• Compound Name: 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde
• PubChem CID: 157097943
• Molecular Formula: C113H142N24O7
• Molecular Weight: 1948.54 g/mol
• Exact Mass: 1947.15
• IUPAC Name: 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C=O)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4C[C@@H](C)O[C@@H](C)C4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCCC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccn4)c3c2C)cc1
• InChI: InChI=1S/C23H31N5O.C23H25N5O.C23H30N4O2.C22H27N5O2.C22H29N5O/c1-5-29-20-10-8-19(9-11-20)28-17(3)21-16(2)25-26-23(22(21)18(28)4)24-12-15-27-13-6-7-14-27;1-5-29-20-11-9-19(10-12-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-8-6-7-13-24-18;1-7-28-20-10-8-19(9-11-20)27-17(5)21-16(4)24-25-23(22(21)18(27)6)26-12-14(2)29-15(3)13-26;1-5-29-19-8-6-18(7-9-19)27-16(3)20-15(2)23-24-22(21(20)17(27)4)26-12-10-25(14-28)11-13-26;1-6-28-19-9-7-18(8-10-19)27-16(3)20-15(2)23-24-22(21(20)17(27)4)26-13-11-25(5)12-14-26/h8-11H,5-7,12-15H2,1-4H3,(H,24,26);6-13H,5,14H2,1-4H3,(H,25,27);8-11,14-15H,7,12-13H2,1-6H3;6-9,14H,5,10-13H2,1-4H3;7-10H,6,11-14H2,1-5H3/t;;14-,15+
• InChIKey: AFKRHVPTDIMNQP-CECWUMNWSA-N
• XLogP: 19.88
• TPSA: 282.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.54
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde?

The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde (CID 157097943) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde.

What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde?

The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C=O)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4C[C@@H](C)O[C@@H](C)C4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCCC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccn4)c3c2C)cc1.

What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde?

The InChIKey is AFKRHVPTDIMNQP-CECWUMNWSA-N. The full InChI is InChI=1S/C23H31N5O.C23H25N5O.C23H30N4O2.C22H27N5O2.C22H29N5O/c1-5-29-20-10-8-19(9-11-20)28-17(3)21-16(2)25-26-23(22(21)18(28)4)24-12-15-27-13-6-7-14-27;1-5-29-20-11-9-19(10-12-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-8-6-7-13-24-18;1-7-28-20-10-8-19(9-11-20)27-17(5)21-16(4)24-25-23(22(21)18(27)6)26-12-14(2)29-15(3)13-26;1-5-29-19-8-6-18(7-9-19)27-16(3)20-15(2)23-24-22(21(20)17(27)4)26-12-10-25(14-28)11-13-26;1-6-28-19-9-7-18(8-10-19)27-16(3)20-15(2)23-24-22(21(20)17(27)4)26-13-11-25(5)12-14-26/h8-11H,5-7,12-15H2,1-4H3,(H,24,26);6-13H,5,14H2,1-4H3,(H,25,27);8-11,14-15H,7,12-13H2,1-6H3;6-9,14H,5,10-13H2,1-4H3;7-10H,6,11-14H2,1-5H3/t;;14-,15+;;.

What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde?

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 1948.54 g/mol, XLogP of 19.88, 26 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;(2S,6R)-4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2,6-dimethylmorpholine;4-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 157097943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).