N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

C124H150F5N21O11 — CID 161429552

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 161429552) has the molecular formula C124H150F5N21O11 and a molecular weight of 2205.69 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 161429552
• Molecular Formula: C124H150F5N21O11
• Molecular Weight: 2205.69 g/mol
• Exact Mass: 2204.17
• IUPAC Name: N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCOCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCCN5CCCCC45)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCCO4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(C(F)(F)F)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(F)c(F)c4)c3c2C)c(OC)c1
• InChI: InChI=1S/C28H39N5O2.C27H29F3N4O2.C25H26F2N4O2.C22H28N4O3.C22H28N4O2/c1-6-35-22-12-13-24(25(16-22)34-5)33-19(3)26-18(2)30-31-28(27(26)20(33)4)29-17-21-10-9-15-32-14-8-7-11-23(21)32;1-6-36-21-11-12-22(23(15-21)35-5)34-17(3)24-16(2)32-33-26(25(24)18(34)4)31-14-13-19-7-9-20(10-8-19)27(28,29)30;1-6-33-18-8-10-21(22(12-18)32-5)31-15(3)23-14(2)29-30-25(24(23)16(31)4)28-13-17-7-9-19(26)20(27)11-17;1-6-29-17-7-8-18(19(13-17)27-5)26-15(3)20-14(2)23-24-22(21(20)16(26)4)25-9-11-28-12-10-25;1-5-27-18-10-8-17(9-11-18)26-15(3)20-14(2)24-25-22(21(20)16(26)4)23-13-19-7-6-12-28-19/h12-13,16,21,23H,6-11,14-15,17H2,1-5H3,(H,29,31);7-12,15H,6,13-14H2,1-5H3,(H,31,33);7-12H,6,13H2,1-5H3,(H,28,30);7-8,13H,6,9-12H2,1-5H3;8-11,19H,5-7,12-13H2,1-4H3,(H,23,25)
• InChIKey: VXVDFSXCXJJJBS-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 309.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.69
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine (CID 161429552) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCOCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCCN5CCCCC45)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC4CCCO4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4ccc(C(F)(F)F)cc4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(F)c(F)c4)c3c2C)c(OC)c1.

What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is VXVDFSXCXJJJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O2.C27H29F3N4O2.C25H26F2N4O2.C22H28N4O3.C22H28N4O2/c1-6-35-22-12-13-24(25(16-22)34-5)33-19(3)26-18(2)30-31-28(27(26)20(33)4)29-17-21-10-9-15-32-14-8-7-11-23(21)32;1-6-36-21-11-12-22(23(15-21)35-5)34-17(3)24-16(2)32-33-26(25(24)18(34)4)31-14-13-19-7-9-20(10-8-19)27(28,29)30;1-6-33-18-8-10-21(22(12-18)32-5)31-15(3)23-14(2)29-30-25(24(23)16(31)4)28-13-17-7-9-19(26)20(27)11-17;1-6-29-17-7-8-18(19(13-17)27-5)26-15(3)20-14(2)23-24-22(21(20)16(26)4)25-9-11-28-12-10-25;1-5-27-18-10-8-17(9-11-18)26-15(3)20-14(2)24-25-22(21(20)16(26)4)23-13-19-7-6-12-28-19/h12-13,16,21,23H,6-11,14-15,17H2,1-5H3,(H,29,31);7-12,15H,6,13-14H2,1-5H3,(H,31,33);7-12H,6,13H2,1-5H3,(H,28,30);7-8,13H,6,9-12H2,1-5H3;8-11,19H,5-7,12-13H2,1-4H3,(H,23,25).

What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine?

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 2205.69 g/mol, XLogP of 25.42, 33 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3,4-difluorophenyl)methyl]-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;4-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]morpholine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(oxolan-2-ylmethyl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 161429552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).