4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine

C139H165F3N24O9 — CID 167536217

About 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine

4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine (PubChem CID 167536217) has the molecular formula C139H165F3N24O9 and a molecular weight of 2373.00 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

• Compound Name: 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine
• PubChem CID: 167536217
• Molecular Formula: C139H165F3N24O9
• Molecular Weight: 2373.00 g/mol
• Exact Mass: 2371.31
• IUPAC Name: 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine
• SMILES: Cc1c([C@@H](C)Nc2nnc(CN)c3ccc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(OC4COC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3ccc(N4CCOCC4)cc23)c1C
• InChI: InChI=1S/C25H33N5O.C24H29F2N5O.2C23H27N3O2.C22H24FN5O.C22H25N3O2/c1-17-7-6-8-21(18(17)2)19(3)26-25-23-15-20(30-11-13-31-14-12-30)9-10-22(23)24(27-28-25)16-29(4)5;1-15-18(5-4-6-21(15)24(3,25)26)16(2)28-23-20-13-17(31-9-11-32-12-10-31)7-8-19(20)22(14-27)29-30-23;2*1-14-6-5-7-20(15(14)2)16(3)24-23-22-12-18(28-19-10-11-27-13-19)8-9-21(22)17(4)25-26-23;1-12-5-4-6-17(21(12)23)13(2)25-22-18-8-20(24-9-19(18)14(3)26-27-22)28-10-15-7-16(11-28)29-15;1-13-6-5-7-19(14(13)2)15(3)23-22-21-10-17(27-18-11-26-12-18)8-9-20(21)16(4)24-25-22/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,28);4-8,13,16H,9-12,14,27H2,1-3H3,(H,28,30);2*5-9,12,16,19H,10-11,13H2,1-4H3,(H,24,26);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,25,27);5-10,15,18H,11-12H2,1-4H3,(H,23,25)/t19-;16-;2*16-,19+;13-,15?,16?;15-/m111111/s1
• InChIKey: APFVXKFVFGQONC-MEGRQWPFSA-N
• XLogP: 27.07
• TPSA: 361.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2373.00
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine?

The IUPAC name of 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine (CID 167536217) is 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine.

What is the SMILES notation for 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine?

The canonical SMILES for 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine is Cc1c([C@@H](C)Nc2nnc(CN)c3ccc(N4CCOCC4)cc23)cccc1C(C)(F)F.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(OC4COC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(O[C@H]4CCOC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(CN(C)C)c3ccc(N4CCOCC4)cc23)c1C.

What is the InChIKey of 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine?

The InChIKey is APFVXKFVFGQONC-MEGRQWPFSA-N. The full InChI is InChI=1S/C25H33N5O.C24H29F2N5O.2C23H27N3O2.C22H24FN5O.C22H25N3O2/c1-17-7-6-8-21(18(17)2)19(3)26-25-23-15-20(30-11-13-31-14-12-30)9-10-22(23)24(27-28-25)16-29(4)5;1-15-18(5-4-6-21(15)24(3,25)26)16(2)28-23-20-13-17(31-9-11-32-12-10-31)7-8-19(20)22(14-27)29-30-23;2*1-14-6-5-7-20(15(14)2)16(3)24-23-22-12-18(28-19-10-11-27-13-19)8-9-21(22)17(4)25-26-23;1-12-5-4-6-17(21(12)23)13(2)25-22-18-8-20(24-9-19(18)14(3)26-27-22)28-10-15-7-16(11-28)29-15;1-13-6-5-7-19(14(13)2)15(3)23-22-21-10-17(27-18-11-26-12-18)8-9-20(21)16(4)24-25-22/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,28);4-8,13,16H,9-12,14,27H2,1-3H3,(H,28,30);2*5-9,12,16,19H,10-11,13H2,1-4H3,(H,24,26);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,25,27);5-10,15,18H,11-12H2,1-4H3,(H,23,25)/t19-;16-;2*16-,19+;13-,15?,16?;15-/m111111/s1.

What are the key properties of 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine?

4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2373.00 g/mol, XLogP of 27.07, 31 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 167536217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).