N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

C101H111F3N18O5 — CID 158738716

About N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158738716) has the molecular formula C101H111F3N18O5 and a molecular weight of 1714.11 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 158738716
• Molecular Formula: C101H111F3N18O5
• Molecular Weight: 1714.11 g/mol
• Exact Mass: 1712.89
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cccc(C)c5)C(C)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(F)c(F)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(F)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)cc1
• InChI: InChI=1S/C30H37N5O2.C24H24F2N4O.C24H25FN4O.C23H25N5O/c1-8-37-25-12-13-26(27(17-25)36-7)35-22(5)28-21(4)31-32-30(29(28)23(35)6)33-14-15-34(20(3)18-33)24-11-9-10-19(2)16-24;1-5-31-19-9-7-18(8-10-19)30-15(3)22-14(2)28-29-24(23(22)16(30)4)27-13-17-6-11-20(25)21(26)12-17;1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18;1-5-29-20-10-8-19(9-11-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-7-6-12-24-13-18/h9-13,16-17,20H,8,14-15,18H2,1-7H3;6-12H,5,13H2,1-4H3,(H,27,29);6-13H,5,14H2,1-4H3,(H,26,28);6-13H,5,14H2,1-4H3,(H,25,27)
• InChIKey: ILZXOPUBJNZTQU-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 224.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1714.11
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 158738716) is N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCN(c5cccc(C)c5)C(C)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(F)c(F)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(F)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)cc1.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is ILZXOPUBJNZTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2.C24H24F2N4O.C24H25FN4O.C23H25N5O/c1-8-37-25-12-13-26(27(17-25)36-7)35-22(5)28-21(4)31-32-30(29(28)23(35)6)33-14-15-34(20(3)18-33)24-11-9-10-19(2)16-24;1-5-31-19-9-7-18(8-10-19)30-15(3)22-14(2)28-29-24(23(22)16(30)4)27-13-17-6-11-20(25)21(26)12-17;1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18;1-5-29-20-10-8-19(9-11-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-7-6-12-24-13-18/h9-13,16-17,20H,8,14-15,18H2,1-7H3;6-12H,5,13H2,1-4H3,(H,27,29);6-13H,5,14H2,1-4H3,(H,26,28);6-13H,5,14H2,1-4H3,(H,25,27).

What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1714.11 g/mol, XLogP of 21.66, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrrolo[3,4-d]pyridazine;6-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158738716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).