6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine

C101H127N21O4 — CID 159014248

About 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 159014248) has the molecular formula C101H127N21O4 and a molecular weight of 1699.27 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 159014248
• Molecular Formula: C101H127N21O4
• Molecular Weight: 1699.27 g/mol
• Exact Mass: 1698.04
• IUPAC Name: 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC(N5CCCCC5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccc5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccn5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN(C)C)c3c2C)cc1
• InChI: InChI=1S/C27H37N5O.C27H31N5O.C26H30N6O.C21H29N5O/c1-5-33-24-11-9-23(10-12-24)32-20(3)25-19(2)28-29-27(26(25)21(32)4)31-17-13-22(14-18-31)30-15-7-6-8-16-30;1-5-33-24-13-11-23(12-14-24)32-20(3)25-19(2)28-29-27(26(25)21(32)4)31-17-15-30(16-18-31)22-9-7-6-8-10-22;1-5-33-22-11-9-21(10-12-22)32-19(3)24-18(2)28-29-26(25(24)20(32)4)31-16-14-30(15-17-31)23-8-6-7-13-27-23;1-7-27-18-10-8-17(9-11-18)26-15(3)19-14(2)23-24-21(20(19)16(26)4)22-12-13-25(5)6/h9-12,22H,5-8,13-18H2,1-4H3;6-14H,5,15-18H2,1-4H3;6-13H,5,14-17H2,1-4H3;8-11H,7,12-13H2,1-6H3,(H,22,24)
• InChIKey: JSWPYRYSDLOCRT-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 207.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1699.27
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 159014248) is 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC(N5CCCCC5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccc5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccccn5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN(C)C)c3c2C)cc1.

What is the InChIKey of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is JSWPYRYSDLOCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O.C27H31N5O.C26H30N6O.C21H29N5O/c1-5-33-24-11-9-23(10-12-24)32-20(3)25-19(2)28-29-27(26(25)21(32)4)31-17-13-22(14-18-31)30-15-7-6-8-16-30;1-5-33-24-13-11-23(12-14-24)32-20(3)25-19(2)28-29-27(26(25)21(32)4)31-17-15-30(16-18-31)22-9-7-6-8-10-22;1-5-33-22-11-9-21(10-12-22)32-19(3)24-18(2)28-29-26(25(24)20(32)4)31-16-14-30(15-17-31)23-8-6-7-13-27-23;1-7-27-18-10-8-17(9-11-18)26-15(3)19-14(2)23-24-21(20(19)16(26)4)22-12-13-25(5)6/h9-12,22H,5-8,13-18H2,1-4H3;6-14H,5,15-18H2,1-4H3;6-13H,5,14-17H2,1-4H3;8-11H,7,12-13H2,1-6H3,(H,22,24).

What are the key properties of 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine?

6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 1699.27 g/mol, XLogP of 18.45, 22 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-phenylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolo[3,4-d]pyridazine;N-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 159014248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).