N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine

C125H140ClF3N22O10S — CID 162107659

About N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine

N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 162107659) has the molecular formula C125H140ClF3N22O10S and a molecular weight of 2235.15 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 162107659
• Molecular Formula: C125H140ClF3N22O10S
• Molecular Weight: 2235.15 g/mol
• Exact Mass: 2233.05
• IUPAC Name: N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCN(C)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C(F)(F)F)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(Cl)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5sc(C)nc5c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(CO)c4)c3c2C)c(OC)c1
• InChI: InChI=1S/C26H27F3N4O2.C26H27N5O2S.C25H28N4O3.C24H25ClN4O.C24H33N5O2/c1-6-35-20-10-11-21(22(13-20)34-5)33-16(3)23-15(2)31-32-25(24(23)17(33)4)30-14-18-8-7-9-19(12-18)26(27,28)29;1-7-33-19-9-10-21(22(13-19)32-6)31-15(3)24-14(2)29-30-26(25(24)16(31)4)28-18-8-11-23-20(12-18)27-17(5)34-23;1-6-32-20-10-11-21(22(13-20)31-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-19-9-7-8-18(12-19)14-30;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;1-7-31-19-8-9-20(21(12-19)30-6)29-16(3)22-15(2)26-27-24(23(22)17(29)4)25-13-18-10-11-28(5)14-18/h7-13H,6,14H2,1-5H3,(H,30,32);8-13H,7H2,1-6H3,(H,28,30);7-13,30H,6,14H2,1-5H3,(H,26,28);6-13H,5,14H2,1-4H3,(H,26,28);8-9,12,18H,7,10-11,13-14H2,1-6H3,(H,25,27)
• InChIKey: ZFSKWBCYAMTUTI-UHFFFAOYSA-N
• XLogP: 27.91
• TPSA: 333.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.15
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine (CID 162107659) is N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCN(C)C4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C(F)(F)F)c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(Cl)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5sc(C)nc5c4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4cccc(CO)c4)c3c2C)c(OC)c1.

What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is ZFSKWBCYAMTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2.C26H27N5O2S.C25H28N4O3.C24H25ClN4O.C24H33N5O2/c1-6-35-20-10-11-21(22(13-20)34-5)33-16(3)23-15(2)31-32-25(24(23)17(33)4)30-14-18-8-7-9-19(12-18)26(27,28)29;1-7-33-19-9-10-21(22(13-19)32-6)31-15(3)24-14(2)29-30-26(25(24)16(31)4)28-18-8-11-23-20(12-18)27-17(5)34-23;1-6-32-20-10-11-21(22(13-20)31-5)29-16(3)23-15(2)27-28-25(24(23)17(29)4)26-19-9-7-8-18(12-19)14-30;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;1-7-31-19-8-9-20(21(12-19)30-6)29-16(3)22-15(2)26-27-24(23(22)17(29)4)25-13-18-10-11-28(5)14-18/h7-13H,6,14H2,1-5H3,(H,30,32);8-13H,7H2,1-6H3,(H,28,30);7-13,30H,6,14H2,1-5H3,(H,26,28);6-13H,5,14H2,1-4H3,(H,26,28);8-9,12,18H,7,10-11,13-14H2,1-6H3,(H,25,27).

What are the key properties of N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine?

N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 2235.15 g/mol, XLogP of 27.91, 33 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolo[3,4-d]pyridazin-4-amine;[3-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]phenyl]methanol;N-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-2-methyl-1,3-benzothiazol-5-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 162107659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).