N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine

C120H153N21O8 — CID 158381788

About N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine

N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine (PubChem CID 158381788) has the molecular formula C120H153N21O8 and a molecular weight of 2017.68 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine
• PubChem CID: 158381788
• Molecular Formula: C120H153N21O8
• Molecular Weight: 2017.68 g/mol
• Exact Mass: 2016.22
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCC(C(=O)N(CC)CC)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCCC(C)C4C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCOC)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)CCC5)c3c2C)cc1
• InChI: InChI=1S/C28H39N5O3.C26H28N4O.C25H34N4O.C21H26N4O.C20H26N4O2/c1-8-31(9-2)28(34)21-12-11-15-32(17-21)27-26-20(6)33(19(5)25(26)18(4)29-30-27)23-14-13-22(36-10-3)16-24(23)35-7;1-5-31-23-13-11-22(12-14-23)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-21-10-9-19-7-6-8-20(19)15-21;1-7-30-21-13-11-20(12-14-21)29-18(5)23-17(4)27-28-25(24(23)19(29)6)26-22-10-8-9-15(2)16(22)3;1-5-26-18-10-8-17(9-11-18)25-15(3)19-14(2)22-23-21(20(19)16(25)4)24-12-6-7-13-24;1-6-26-17-9-7-16(8-10-17)24-14(3)18-13(2)22-23-20(19(18)15(24)4)21-11-12-25-5/h13-14,16,21H,8-12,15,17H2,1-7H3;9-15H,5-8H2,1-4H3,(H,27,29);11-16,22H,7-10H2,1-6H3,(H,26,28);8-11H,5-7,12-13H2,1-4H3;7-10H,6,11-12H2,1-5H3,(H,21,23)
• InChIKey: GVWOEHKCZNICHG-UHFFFAOYSA-N
• XLogP: 24.94
• TPSA: 281.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.68
LogP ≤ 5	24.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine (CID 158381788) is N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCC(C(=O)N(CC)CC)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCCC(C)C4C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCOC)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)CCC5)c3c2C)cc1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine?

The InChIKey is GVWOEHKCZNICHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3.C26H28N4O.C25H34N4O.C21H26N4O.C20H26N4O2/c1-8-31(9-2)28(34)21-12-11-15-32(17-21)27-26-20(6)33(19(5)25(26)18(4)29-30-27)23-14-13-22(36-10-3)16-24(23)35-7;1-5-31-23-13-11-22(12-14-23)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-21-10-9-19-7-6-8-20(19)15-21;1-7-30-21-13-11-20(12-14-21)29-18(5)23-17(4)27-28-25(24(23)19(29)6)26-22-10-8-9-15(2)16(22)3;1-5-26-18-10-8-17(9-11-18)25-15(3)19-14(2)22-23-21(20(19)16(25)4)24-12-6-7-13-24;1-6-26-17-9-7-16(8-10-17)24-14(3)18-13(2)22-23-20(19(18)15(24)4)21-11-12-25-5/h13-14,16,21H,8-12,15,17H2,1-7H3;9-15H,5-8H2,1-4H3,(H,27,29);11-16,22H,7-10H2,1-6H3,(H,26,28);8-11H,5-7,12-13H2,1-4H3;7-10H,6,11-12H2,1-5H3,(H,21,23).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine?

N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine has a molecular weight of 2017.68 g/mol, XLogP of 24.94, 29 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(2,3-dimethylcyclohexyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;1-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-N,N-diethylpiperidine-3-carboxamide;6-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-pyrrolidin-1-ylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 158381788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).