N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride

C106H128ClN19O7 — CID 159054441

About N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride

N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride (PubChem CID 159054441) has the molecular formula C106H128ClN19O7 and a molecular weight of 1815.77 g/mol. Its IUPAC name is N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride.

Molecular Properties

• Compound Name: N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride
• PubChem CID: 159054441
• Molecular Formula: C106H128ClN19O7
• Molecular Weight: 1815.77 g/mol
• Exact Mass: 1813.99
• IUPAC Name: N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride
• SMILES: CCCCNc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4(N5CCCCC5)CCCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(OCc5ccccc5)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc([NH2+]c4ccc5[nH]ncc5c4)c3c2C)cc1.[Cl-]
• InChI: InChI=1S/C31H32N4O3.C30H43N5O2.C24H24N6O.C21H28N4O.ClH/c1-6-37-26-15-16-27(28(18-26)36-5)35-21(3)29-20(2)33-34-31(30(29)22(35)4)32-24-13-10-14-25(17-24)38-19-23-11-8-7-9-12-23;1-6-37-24-13-14-25(26(19-24)36-5)35-22(3)27-21(2)32-33-29(28(27)23(35)4)31-20-30(15-9-7-10-16-30)34-17-11-8-12-18-34;1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21;1-6-8-13-22-21-20-16(5)25(15(4)19(20)14(3)23-24-21)17-9-11-18(12-10-17)26-7-2;/h7-18H,6,19H2,1-5H3,(H,32,34);13-14,19H,6-12,15-18,20H2,1-5H3,(H,31,33);6-13H,5H2,1-4H3,(H,25,28)(H,26,29);9-12H,6-8,13H2,1-5H3,(H,22,24);1H
• InChIKey: OYPZMVHSKHPLNU-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 272.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.77
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride?

The IUPAC name of N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride (CID 159054441) is N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride.

What is the SMILES notation for N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride?

The canonical SMILES for N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride is CCCCNc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4(N5CCCCC5)CCCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(OCc5ccccc5)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc([NH2+]c4ccc5[nH]ncc5c4)c3c2C)cc1.[Cl-].

What is the InChIKey of N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride?

The InChIKey is OYPZMVHSKHPLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3.C30H43N5O2.C24H24N6O.C21H28N4O.ClH/c1-6-37-26-15-16-27(28(18-26)36-5)35-21(3)29-20(2)33-34-31(30(29)22(35)4)32-24-13-10-14-25(17-24)38-19-23-11-8-7-9-12-23;1-6-37-24-13-14-25(26(19-24)36-5)35-22(3)27-21(2)32-33-29(28(27)23(35)4)31-20-30(15-9-7-10-16-30)34-17-11-8-12-18-34;1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21;1-6-8-13-22-21-20-16(5)25(15(4)19(20)14(3)23-24-21)17-9-11-18(12-10-17)26-7-2;/h7-18H,6,19H2,1-5H3,(H,32,34);13-14,19H,6-12,15-18,20H2,1-5H3,(H,31,33);6-13H,5H2,1-4H3,(H,25,28)(H,26,29);9-12H,6-8,13H2,1-5H3,(H,22,24);1H.

What are the key properties of N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride?

N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride has a molecular weight of 1815.77 g/mol, XLogP of 19.54, 29 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(3-phenylmethoxyphenyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-(1H-indazol-5-yl)azanium;chloride is sourced from PubChem (CID 159054441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).