4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

C109H126Cl2N18O7 — CID 158022793

About 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine

4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (PubChem CID 158022793) has the molecular formula C109H126Cl2N18O7 and a molecular weight of 1871.23 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

• Compound Name: 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
• PubChem CID: 158022793
• Molecular Formula: C109H126Cl2N18O7
• Molecular Weight: 1871.23 g/mol
• Exact Mass: 1868.94
• IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(Cc5ccccc5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cc(C)ccc5C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(Cl)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4)c3c2C)cc1
• InChI: InChI=1S/C30H37N5O2.C29H35N5O2.C26H29ClN4O2.C24H25ClN4O/c1-8-37-24-11-12-25(27(18-24)36-7)35-22(5)28-21(4)31-32-30(29(28)23(35)6)34-15-13-33(14-16-34)26-17-19(2)9-10-20(26)3;1-6-36-24-12-13-25(26(18-24)35-5)34-21(3)27-20(2)30-31-29(28(27)22(34)4)33-16-14-32(15-17-33)19-23-10-8-7-9-11-23;1-6-33-21-11-12-22(23(15-21)32-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)28-14-13-19-7-9-20(27)10-8-19;1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h9-12,17-18H,8,13-16H2,1-7H3;7-13,18H,6,14-17,19H2,1-5H3;7-12,15H,6,13-14H2,1-5H3,(H,28,30);6-13H,5,14H2,1-4H3,(H,26,28)
• InChIKey: FGGHKJHMKZVHGH-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 224.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.23
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?

The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine (CID 158022793) is 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine.

What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?

The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(Cc5ccccc5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cc(C)ccc5C)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(Cl)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4)c3c2C)cc1.

What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?

The InChIKey is FGGHKJHMKZVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2.C29H35N5O2.C26H29ClN4O2.C24H25ClN4O/c1-8-37-24-11-12-25(27(18-24)36-7)35-22(5)28-21(4)31-32-30(29(28)23(35)6)34-15-13-33(14-16-34)26-17-19(2)9-10-20(26)3;1-6-36-24-12-13-25(26(18-24)35-5)34-21(3)27-20(2)30-31-29(28(27)22(34)4)33-16-14-32(15-17-33)19-23-10-8-7-9-11-23;1-6-33-21-11-12-22(23(15-21)32-5)31-17(3)24-16(2)29-30-26(25(24)18(31)4)28-14-13-19-7-9-20(27)10-8-19;1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h9-12,17-18H,8,13-16H2,1-7H3;7-13,18H,6,14-17,19H2,1-5H3;7-12,15H,6,13-14H2,1-5H3,(H,28,30);6-13H,5,14H2,1-4H3,(H,26,28).

What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine?

4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine has a molecular weight of 1871.23 g/mol, XLogP of 22.84, 27 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-benzylpiperazin-1-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(4-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 158022793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).