N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

C104H113Cl2N17O7 — CID 158798001

About N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 158798001) has the molecular formula C104H113Cl2N17O7 and a molecular weight of 1784.07 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
• PubChem CID: 158798001
• Molecular Formula: C104H113Cl2N17O7
• Molecular Weight: 1784.07 g/mol
• Exact Mass: 1781.84
• IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCc5c([nH]c6ccccc56)C4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)c4ccccc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(Cl)cc4Cl)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(OC)c4)c3c2C)cc1
• InChI: InChI=1S/C28H29N5O.C26H28Cl2N4O2.C25H28N4O3.C25H28N4O/c1-5-34-21-12-10-20(11-13-21)33-18(3)26-17(2)30-31-28(27(26)19(33)4)32-15-14-23-22-8-6-7-9-24(22)29-25(23)16-32;1-6-34-20-9-10-22(23(14-20)33-5)32-16(3)24-15(2)30-31-26(25(24)17(32)4)29-12-11-18-7-8-19(27)13-21(18)28;1-7-32-20-11-9-19(10-12-20)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-18-8-13-21(30-5)22(14-18)31-6;1-6-30-22-14-12-21(13-15-22)29-18(4)23-17(3)27-28-25(24(23)19(29)5)26-16(2)20-10-8-7-9-11-20/h6-13,29H,5,14-16H2,1-4H3;7-10,13-14H,6,11-12H2,1-5H3,(H,29,31);8-14H,7H2,1-6H3,(H,26,28);7-16H,6H2,1-5H3,(H,26,28)
• InChIKey: ITCKHHOYPBGMAN-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 242.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.07
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 158798001) is N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCc5c([nH]c6ccccc56)C4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)c4ccccc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(Cl)cc4Cl)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)c(OC)c4)c3c2C)cc1.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The InChIKey is ITCKHHOYPBGMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O.C26H28Cl2N4O2.C25H28N4O3.C25H28N4O/c1-5-34-21-12-10-20(11-13-21)33-18(3)26-17(2)30-31-28(27(26)19(33)4)32-15-14-23-22-8-6-7-9-24(22)29-25(23)16-32;1-6-34-20-9-10-22(23(14-20)33-5)32-16(3)24-15(2)30-31-26(25(24)17(32)4)29-12-11-18-7-8-19(27)13-21(18)28;1-7-32-20-11-9-19(10-12-20)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-18-8-13-21(30-5)22(14-18)31-6;1-6-30-22-14-12-21(13-15-22)29-18(4)23-17(3)27-28-25(24(23)19(29)5)26-16(2)20-10-8-7-9-11-20/h6-13,29H,5,14-16H2,1-4H3;7-10,13-14H,6,11-12H2,1-5H3,(H,29,31);8-14H,7H2,1-6H3,(H,26,28);7-16H,6H2,1-5H3,(H,26,28).

What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?

N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 1784.07 g/mol, XLogP of 23.93, 25 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(1-phenylethyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 158798001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).