6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one

C106H116N20O5S — CID 158998479

About 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one

6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 158998479) has the molecular formula C106H116N20O5S and a molecular weight of 1782.30 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
• PubChem CID: 158998479
• Molecular Formula: C106H116N20O5S
• Molecular Weight: 1782.30 g/mol
• Exact Mass: 1780.92
• IUPAC Name: 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N(C)CCc4ccccn4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCCc4ccccc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4csc(-c5ccccc5)n4)c3c2C)cc1
• InChI: InChI=1S/C27H28N6O2.C27H27N5OS.C27H32N4O.C25H29N5O/c1-5-35-20-12-10-19(11-13-20)33-17(3)24-16(2)31-32-26(25(24)18(33)4)28-15-14-23-29-22-9-7-6-8-21(22)27(34)30-23;1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-26(25(24)19(32)4)28-15-21-16-34-27(29-21)20-9-7-6-8-10-20;1-5-32-24-16-14-23(15-17-24)31-20(3)25-19(2)29-30-27(26(25)21(31)4)28-18-10-9-13-22-11-7-6-8-12-22;1-6-31-22-12-10-21(11-13-22)30-18(3)23-17(2)27-28-25(24(23)19(30)4)29(5)16-14-20-9-7-8-15-26-20/h6-13H,5,14-15H2,1-4H3,(H,28,32)(H,29,30,34);6-14,16H,5,15H2,1-4H3,(H,28,31);6-8,11-12,14-17H,5,9-10,13,18H2,1-4H3,(H,28,30);7-13,15H,6,14,16H2,1-5H3
• InChIKey: JRASSLLOIWCDEG-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 270.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.30
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	4
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 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?

The IUPAC name of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one (CID 158998479) is 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one.

What is the SMILES notation for 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?

The canonical SMILES for 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one is CCOc1ccc(-n2c(C)c3c(C)nnc(N(C)CCc4ccccn4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCCc4ccccc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4csc(-c5ccccc5)n4)c3c2C)cc1.

What is the InChIKey of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?

The InChIKey is JRASSLLOIWCDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C27H27N5OS.C27H32N4O.C25H29N5O/c1-5-35-20-12-10-19(11-13-20)33-17(3)24-16(2)31-32-26(25(24)18(33)4)28-15-14-23-29-22-9-7-6-8-21(22)27(34)30-23;1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-26(25(24)19(32)4)28-15-21-16-34-27(29-21)20-9-7-6-8-10-20;1-5-32-24-16-14-23(15-17-24)31-20(3)25-19(2)29-30-27(26(25)21(31)4)28-18-10-9-13-22-11-7-6-8-12-22;1-6-31-22-12-10-21(11-13-22)30-18(3)23-17(2)27-28-25(24(23)19(30)4)29(5)16-14-20-9-7-8-15-26-20/h6-13H,5,14-15H2,1-4H3,(H,28,32)(H,29,30,34);6-14,16H,5,15H2,1-4H3,(H,28,31);6-8,11-12,14-17H,5,9-10,13,18H2,1-4H3,(H,28,30);7-13,15H,6,14,16H2,1-5H3.

What are the key properties of 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one?

6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 1782.30 g/mol, XLogP of 22.11, 30 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxyphenyl)-N,1,5,7-tetramethyl-N-(2-pyridin-2-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-phenylbutyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 158998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).