6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

C106H118N20O10 — CID 158003398

About 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158003398) has the molecular formula C106H118N20O10 and a molecular weight of 1832.24 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 158003398
• Molecular Formula: C106H118N20O10
• Molecular Weight: 1832.24 g/mol
• Exact Mass: 1830.93
• IUPAC Name: 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4cccc(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(C)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(Oc5ccccc5)cc4)c3c2C)c(OC)c1
• InChI: InChI=1S/C30H30N4O3.C27H32N4O3.C26H28N6O2.C23H28N6O2/c1-6-36-25-16-17-26(27(18-25)35-5)34-20(3)28-19(2)32-33-30(29(28)21(34)4)31-22-12-14-24(15-13-22)37-23-10-8-7-9-11-23;1-7-34-22-11-12-23(24(16-22)33-6)31-18(3)25-17(2)29-30-27(26(25)19(31)4)28-14-13-20-9-8-10-21(15-20)32-5;1-6-34-21-10-11-22(23(14-21)33-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)27-15-20-9-7-8-19-12-13-28-32(19)20;1-7-31-18-8-9-19(20(10-18)30-6)29-15(3)21-14(2)26-27-23(22(21)16(29)4)24-11-17-12-25-28(5)13-17/h7-18H,6H2,1-5H3,(H,31,33);8-12,15-16H,7,13-14H2,1-6H3,(H,28,30);7-14H,6,15H2,1-5H3,(H,27,30);8-10,12-13H,7,11H2,1-6H3,(H,24,27)
• InChIKey: FDZQDMLGBCRFFU-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 298.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.24
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 158003398) is 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4cccc(OC)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(C)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(Oc5ccccc5)cc4)c3c2C)c(OC)c1.

What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is FDZQDMLGBCRFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3.C27H32N4O3.C26H28N6O2.C23H28N6O2/c1-6-36-25-16-17-26(27(18-25)35-5)34-20(3)28-19(2)32-33-30(29(28)21(34)4)31-22-12-14-24(15-13-22)37-23-10-8-7-9-11-23;1-7-34-22-11-12-23(24(16-22)33-6)31-18(3)25-17(2)29-30-27(26(25)19(31)4)28-14-13-20-9-8-10-21(15-20)32-5;1-6-34-21-10-11-22(23(14-21)33-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)27-15-20-9-7-8-19-12-13-28-32(19)20;1-7-31-18-8-9-19(20(10-18)30-6)29-15(3)21-14(2)26-27-23(22(21)16(29)4)24-11-17-12-25-28(5)13-17/h7-18H,6H2,1-5H3,(H,31,33);8-12,15-16H,7,13-14H2,1-6H3,(H,28,30);7-14H,6,15H2,1-5H3,(H,27,30);8-10,12-13H,7,11H2,1-6H3,(H,24,27).

What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1832.24 g/mol, XLogP of 21.82, 31 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxy-2-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(4-phenoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158003398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).