N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

C111H127ClN20O6 — CID 157365316

About N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 157365316) has the molecular formula C111H127ClN20O6 and a molecular weight of 1872.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 157365316
• Molecular Formula: C111H127ClN20O6
• Molecular Weight: 1872.82 g/mol
• Exact Mass: 1870.99
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C/C=C/c5ccccc5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccc(C)c(C)c5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(Cl)cc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)cc1
• InChI: InChI=1S/C31H37N5O2.C30H37N5O2.C25H27ClN4O.C25H26N6O/c1-6-38-26-14-15-27(28(21-26)37-5)36-23(3)29-22(2)32-33-31(30(29)24(36)4)35-19-17-34(18-20-35)16-10-13-25-11-8-7-9-12-25;1-8-37-25-11-12-26(27(18-25)36-7)35-22(5)28-21(4)31-32-30(29(28)23(35)6)34-15-13-33(14-16-34)24-10-9-19(2)20(3)17-24;1-5-31-22-12-10-21(11-13-22)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-15-14-19-6-8-20(26)9-7-19;1-5-32-22-11-9-19(10-12-22)30-17(3)23-16(2)28-29-25(24(23)18(30)4)26-15-21-8-6-7-20-13-14-27-31(20)21/h7-15,21H,6,16-20H2,1-5H3;9-12,17-18H,8,13-16H2,1-7H3;6-13H,5,14-15H2,1-4H3,(H,27,29);6-14H,5,15H2,1-4H3,(H,26,29)/b13-10+
• InChIKey: BJCMPDXYHWVVOT-SAOBJNJYSA-N
• XLogP: 22.34
• TPSA: 232.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.82
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 157365316) is N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(C/C=C/c5ccccc5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5ccc(C)c(C)c5)CC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(Cl)cc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc5ccnn45)c3c2C)cc1.

What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is BJCMPDXYHWVVOT-SAOBJNJYSA-N. The full InChI is InChI=1S/C31H37N5O2.C30H37N5O2.C25H27ClN4O.C25H26N6O/c1-6-38-26-14-15-27(28(21-26)37-5)36-23(3)29-22(2)32-33-31(30(29)24(36)4)35-19-17-34(18-20-35)16-10-13-25-11-8-7-9-12-25;1-8-37-25-11-12-26(27(18-25)36-7)35-22(5)28-21(4)31-32-30(29(28)23(35)6)34-15-13-33(14-16-34)24-10-9-19(2)20(3)17-24;1-5-31-22-12-10-21(11-13-22)30-17(3)23-16(2)28-29-25(24(23)18(30)4)27-15-14-19-6-8-20(26)9-7-19;1-5-32-22-11-9-19(10-12-22)30-17(3)23-16(2)28-29-25(24(23)18(30)4)26-15-21-8-6-7-20-13-14-27-31(20)21/h7-15,21H,6,16-20H2,1-5H3;9-12,17-18H,8,13-16H2,1-7H3;6-13H,5,14-15H2,1-4H3,(H,27,29);6-14H,5,15H2,1-4H3,(H,26,29)/b13-10+;;;.

What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1872.82 g/mol, XLogP of 22.34, 27 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 157365316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).