7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
C164H208F2N38O3 — CID 158039525
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCCN1CCN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)CC1.COC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c(F)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCC(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(O)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1F
InChIInChI=1S/C26H33N5.C24H32N6.C24H31N5O.C23H29FN6.C23H30N6.C23H29N5O.C21H24FN5O/c1-16-9-10-26(12-16)14-31(15-26)24-11-22-23(13-27-24)20(5)29-30-25(22)28-19(4)21-8-6-7-17(2)18(21)3;1-6-29-10-12-30(13-11-29)23-14-21-22(15-25-23)19(5)27-28-24(21)26-18(4)20-9-7-8-16(2)17(20)3;1-15-7-6-8-19(16(15)2)17(3)26-23-20-13-22(25-14-21(20)18(4)27-28-23)29-11-9-24(5,30)10-12-29;1-14-7-8-17(20(24)9-14)15(2)26-22-18-10-21(25-11-19(18)16(3)27-28-22)30-12-23(4,13-30)29(5)6;1-14-8-7-9-19(15(14)2)16(3)25-23-20-10-22(29-12-18(13-29)28(5)6)24-11-21(20)17(4)26-27-23;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22;1-13-5-4-6-16(20(13)22)14(2)24-21-17-11-19(27-7-9-28-10-8-27)23-12-18(17)15(3)25-26-21/h6-8,11,13,16,19H,9-10,12,14-15H2,1-5H3,(H,28,30);7-9,14-15,18H,6,10-13H2,1-5H3,(H,26,28);6-8,13-14,17,30H,9-12H2,1-5H3,(H,26,28);7-11,15H,12-13H2,1-6H3,(H,26,28);7-11,16,18H,12-13H2,1-6H3,(H,25,27);7-11,16H,12-13H2,1-6H3,(H,25,27);4-6,11-12,14H,7-10H2,1-3H3,(H,24,26)/t16?,19-;18-;17-;15-;2*16-;14-/m1111111/s1
InChIKeyFIEIPDANTBVKDN-JZPVFEFQSA-N
MW2797.73 g/mol
LogP30.60
Rot. Bonds32
About 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 158039525) has the molecular formula C164H208F2N38O3 and a molecular weight of 2797.73 g/mol. Its IUPAC name is 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
Molecular Properties
| Compound Name | 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine |
|---|---|
| PubChem CID | 158039525 |
| Molecular Formula | C164H208F2N38O3 |
| Molecular Weight | 2797.73 g/mol |
| Exact Mass | 2795.73 |
| IUPAC Name | 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine |
| SMILES | CCN1CCN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)CC1.COC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c(F)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCC(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(O)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1F |
| InChI | InChI=1S/C26H33N5.C24H32N6.C24H31N5O.C23H29FN6.C23H30N6.C23H29N5O.C21H24FN5O/c1-16-9-10-26(12-16)14-31(15-26)24-11-22-23(13-27-24)20(5)29-30-25(22)28-19(4)21-8-6-7-17(2)18(21)3;1-6-29-10-12-30(13-11-29)23-14-21-22(15-25-23)19(5)27-28-24(21)26-18(4)20-9-7-8-16(2)17(20)3;1-15-7-6-8-19(16(15)2)17(3)26-23-20-13-22(25-14-21(20)18(4)27-28-23)29-11-9-24(5,30)10-12-29;1-14-7-8-17(20(24)9-14)15(2)26-22-18-10-21(25-11-19(18)16(3)27-28-22)30-12-23(4,13-30)29(5)6;1-14-8-7-9-19(15(14)2)16(3)25-23-20-10-22(29-12-18(13-29)28(5)6)24-11-21(20)17(4)26-27-23;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22;1-13-5-4-6-16(20(13)22)14(2)24-21-17-11-19(27-7-9-28-10-8-27)23-12-18(17)15(3)25-26-21/h6-8,11,13,16,19H,9-10,12,14-15H2,1-5H3,(H,28,30);7-9,14-15,18H,6,10-13H2,1-5H3,(H,26,28);6-8,13-14,17,30H,9-12H2,1-5H3,(H,26,28);7-11,15H,12-13H2,1-6H3,(H,26,28);7-11,16,18H,12-13H2,1-6H3,(H,25,27);7-11,16H,12-13H2,1-6H3,(H,25,27);4-6,11-12,14H,7-10H2,1-3H3,(H,24,26)/t16?,19-;18-;17-;15-;2*16-;14-/m1111111/s1 |
| InChIKey | FIEIPDANTBVKDN-JZPVFEFQSA-N |
| XLogP | 30.60 |
| TPSA | 425.99 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 207 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2797.73 |
| LogP ≤ 5 | 30.60 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 41 |
Frequently Asked Questions
What is the IUPAC name of 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 158039525) is 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is CCN1CCN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)CC1.COC1(C)CN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)C1.Cc1ccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c(F)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCC(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(O)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1F.
What is the InChIKey of 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is FIEIPDANTBVKDN-JZPVFEFQSA-N. The full InChI is InChI=1S/C26H33N5.C24H32N6.C24H31N5O.C23H29FN6.C23H30N6.C23H29N5O.C21H24FN5O/c1-16-9-10-26(12-16)14-31(15-26)24-11-22-23(13-27-24)20(5)29-30-25(22)28-19(4)21-8-6-7-17(2)18(21)3;1-6-29-10-12-30(13-11-29)23-14-21-22(15-25-23)19(5)27-28-24(21)26-18(4)20-9-7-8-16(2)17(20)3;1-15-7-6-8-19(16(15)2)17(3)26-23-20-13-22(25-14-21(20)18(4)27-28-23)29-11-9-24(5,30)10-12-29;1-14-7-8-17(20(24)9-14)15(2)26-22-18-10-21(25-11-19(18)16(3)27-28-22)30-12-23(4,13-30)29(5)6;1-14-8-7-9-19(15(14)2)16(3)25-23-20-10-22(29-12-18(13-29)28(5)6)24-11-21(20)17(4)26-27-23;1-14-8-7-9-18(15(14)2)16(3)25-22-19-10-21(28-12-23(5,13-28)29-6)24-11-20(19)17(4)26-27-22;1-13-5-4-6-16(20(13)22)14(2)24-21-17-11-19(27-7-9-28-10-8-27)23-12-18(17)15(3)25-26-21/h6-8,11,13,16,19H,9-10,12,14-15H2,1-5H3,(H,28,30);7-9,14-15,18H,6,10-13H2,1-5H3,(H,26,28);6-8,13-14,17,30H,9-12H2,1-5H3,(H,26,28);7-11,15H,12-13H2,1-6H3,(H,26,28);7-11,16,18H,12-13H2,1-6H3,(H,25,27);7-11,16H,12-13H2,1-6H3,(H,25,27);4-6,11-12,14H,7-10H2,1-3H3,(H,24,26)/t16?,19-;18-;17-;15-;2*16-;14-/m1111111/s1.
What are the key properties of 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2797.73 g/mol, XLogP of 30.60, 32 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-4-methylpiperidin-4-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(3-methoxy-3-methylazetidin-1-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 158039525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158039525 — identifiers, structure, computed properties (public domain)
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