6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine

C107H118N20O9S — CID 160589634

About 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 160589634) has the molecular formula C107H118N20O9S and a molecular weight of 1860.32 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 160589634
• Molecular Formula: C107H118N20O9S
• Molecular Weight: 1860.32 g/mol
• Exact Mass: 1858.91
• IUPAC Name: 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCOC(COc5ccccc5)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5cnccc45)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(C)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4csc(-c5ccccc5)n4)c3c2C)c(OC)c1
• InChI: InChI=1S/C29H34N4O4.C28H29N5O2S.C28H29N5O2.C22H26N6O/c1-6-35-23-12-13-25(26(16-23)34-5)33-20(3)27-19(2)30-31-29(28(27)21(33)4)32-14-15-36-24(17-32)18-37-22-10-8-7-9-11-22;1-6-35-22-12-13-23(24(14-22)34-5)33-18(3)25-17(2)31-32-27(26(25)19(33)4)29-15-21-16-36-28(30-21)20-10-8-7-9-11-20;1-6-35-22-10-11-24(25(14-22)34-5)33-18(3)26-17(2)31-32-28(27(26)19(33)4)30-16-21-9-7-8-20-15-29-13-12-23(20)21;1-6-29-19-9-7-18(8-10-19)28-15(3)20-14(2)25-26-22(21(20)16(28)4)23-11-17-12-24-27(5)13-17/h7-13,16,24H,6,14-15,17-18H2,1-5H3;7-14,16H,6,15H2,1-5H3,(H,29,32);7-15H,6,16H2,1-5H3,(H,30,32);7-10,12-13H,6,11H2,1-5H3,(H,23,26)
• InChIKey: RCVKXEROICDVQI-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 288.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.32
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine (CID 160589634) is 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCOC(COc5ccccc5)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5cnccc45)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(C)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4csc(-c5ccccc5)n4)c3c2C)c(OC)c1.

What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is RCVKXEROICDVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4.C28H29N5O2S.C28H29N5O2.C22H26N6O/c1-6-35-23-12-13-25(26(16-23)34-5)33-20(3)27-19(2)30-31-29(28(27)21(33)4)32-14-15-36-24(17-32)18-37-22-10-8-7-9-11-22;1-6-35-22-12-13-23(24(14-22)34-5)33-18(3)25-17(2)31-32-27(26(25)19(33)4)29-15-21-16-36-28(30-21)20-10-8-7-9-11-20;1-6-35-22-10-11-24(25(14-22)34-5)33-18(3)26-17(2)31-32-28(27(26)19(33)4)30-16-21-9-7-8-20-15-29-13-12-23(20)21;1-6-29-19-9-7-18(8-10-19)28-15(3)20-14(2)25-26-22(21(20)16(28)4)23-11-17-12-24-27(5)13-17/h7-13,16,24H,6,14-15,17-18H2,1-5H3;7-14,16H,6,15H2,1-5H3,(H,29,32);7-15H,6,16H2,1-5H3,(H,30,32);7-10,12-13H,6,11H2,1-5H3,(H,23,26).

What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine?

6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1860.32 g/mol, XLogP of 21.53, 29 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxy-2-methoxyphenyl)-N-(isoquinolin-5-ylmethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-(phenoxymethyl)morpholine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 160589634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).