N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine

C109H132ClFN20O5 — CID 160670465

About N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine

N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 160670465) has the molecular formula C109H132ClFN20O5 and a molecular weight of 1856.84 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 160670465
• Molecular Formula: C109H132ClFN20O5
• Molecular Weight: 1856.84 g/mol
• Exact Mass: 1855.04
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccc(F)cc5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCN(Cc5ccccc5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCN4CCCCC4C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N5CCOCC5)c(Cl)c4)c3c2C)cc1
• InChI: InChI=1S/C29H35N5O.C27H30ClN5O2.C27H30FN5O.C26H37N5O/c1-5-35-26-13-11-25(12-14-26)34-21(3)27-20(2)31-32-29(28(27)22(34)4)30-24-15-17-33(18-16-24)19-23-9-7-6-8-10-23;1-5-35-22-9-7-21(8-10-22)33-18(3)25-17(2)30-31-27(26(25)19(33)4)29-20-6-11-24(23(28)16-20)32-12-14-34-15-13-32;1-5-34-24-12-10-23(11-13-24)33-19(3)25-18(2)29-30-27(26(25)20(33)4)32-16-14-31(15-17-32)22-8-6-21(28)7-9-22;1-6-32-23-13-11-22(12-14-23)31-20(4)24-19(3)28-29-26(25(24)21(31)5)27-15-9-17-30-16-8-7-10-18(30)2/h6-14,24H,5,15-19H2,1-4H3,(H,30,32);6-11,16H,5,12-15H2,1-4H3,(H,29,31);6-13H,5,14-17H2,1-4H3;11-14,18H,6-10,15-17H2,1-5H3,(H,27,29)
• InChIKey: RMWBNOZLGWQKAF-UHFFFAOYSA-N
• XLogP: 22.43
• TPSA: 221.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.84
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine (CID 160670465) is N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccc(F)cc5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NC4CCN(Cc5ccccc5)CC4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCN4CCCCC4C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N5CCOCC5)c(Cl)c4)c3c2C)cc1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is RMWBNOZLGWQKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O.C27H30ClN5O2.C27H30FN5O.C26H37N5O/c1-5-35-26-13-11-25(12-14-26)34-21(3)27-20(2)31-32-29(28(27)22(34)4)30-24-15-17-33(18-16-24)19-23-9-7-6-8-10-23;1-5-35-22-9-7-21(8-10-22)33-18(3)25-17(2)30-31-27(26(25)19(33)4)29-20-6-11-24(23(28)16-20)32-12-14-34-15-13-32;1-5-34-24-12-10-23(11-13-24)33-19(3)25-18(2)29-30-27(26(25)20(33)4)32-16-14-31(15-17-32)22-8-6-21(28)7-9-22;1-6-32-23-13-11-22(12-14-23)31-20(4)24-19(3)28-29-26(25(24)21(31)5)27-15-9-17-30-16-8-7-10-18(30)2/h6-14,24H,5,15-19H2,1-4H3,(H,30,32);6-11,16H,5,12-15H2,1-4H3,(H,29,31);6-13H,5,14-17H2,1-4H3;11-14,18H,6-10,15-17H2,1-5H3,(H,27,29).

What are the key properties of N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine?

N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1856.84 g/mol, XLogP of 22.43, 26 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 160670465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).