7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine

C155H184F5N43O7 — CID 160633718

IUPAC7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
SMILESCc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)n1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C(F)(F)F
InChIInChI=1S/C24H29FN6O.C23H24F3N5O.C23H30N8O.C23H27N5O.C21H24FN5O.C21H25N7O.C20H25N7O/c1-15-5-4-6-19(23(15)25)16(2)27-24-20-11-22(26-12-21(20)17(3)28-29-24)31-8-7-30-9-10-32-14-18(30)13-31;1-12-5-4-6-17(21(12)23(24,25)26)13(2)28-22-18-8-20(27-9-19(18)14(3)29-30-22)31-10-16-7-15(31)11-32-16;1-14-8-17(24)9-21(26-14)16(3)27-23-19-10-22(25-11-20(19)15(2)28-29-23)31-5-4-30-6-7-32-13-18(30)12-31;1-13-6-5-7-19(14(13)2)15(3)25-23-20-9-22(24-10-21(20)16(4)26-27-23)28-11-17-8-18(12-28)29-17;1-12-6-5-7-15(19(12)22)13(2)24-20-16-8-18(27-10-21(4,28)11-27)23-9-17(16)14(3)25-26-20;1-11-4-14(22)5-19(24-11)13(3)25-21-17-7-20(23-8-18(17)12(2)26-27-21)28-9-15-6-16(10-28)29-15;1-11-5-14(21)6-17(23-11)13(3)24-19-15-7-18(27-9-20(4,28)10-27)22-8-16(15)12(2)25-26-19/h4-6,11-12,16,18H,7-10,13-14H2,1-3H3,(H,27,29);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,28,30);8-11,16,18H,4-7,12-13H2,1-3H3,(H2,24,26)(H,27,29);5-7,9-10,15,17-18H,8,11-12H2,1-4H3,(H,25,27);5-9,13,28H,10-11H2,1-4H3,(H,24,26);4-5,7-8,13,15-16H,6,9-10H2,1-3H3,(H2,22,24)(H,25,27);5-8,13,28H,9-10H2,1-4H3,(H2,21,23)(H,24,26)/t16-,18+;13-,15-,16-;16-,18+;15-,17?,18?;13-;13-,15?,16?;13-/m1111111/s1
InChIKeyRIGHRLDOVPGUSS-UFJIDUHISA-N
MW2856.46 g/mol
LogP23.36
Rot. Bonds28

About 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine

7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 160633718) has the molecular formula C155H184F5N43O7 and a molecular weight of 2856.46 g/mol. Its IUPAC name is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
PubChem CID160633718
Molecular FormulaC155H184F5N43O7
Molecular Weight2856.46 g/mol
Exact Mass2854.53
IUPAC Name7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
SMILESCc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)n1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C(F)(F)F
InChIInChI=1S/C24H29FN6O.C23H24F3N5O.C23H30N8O.C23H27N5O.C21H24FN5O.C21H25N7O.C20H25N7O/c1-15-5-4-6-19(23(15)25)16(2)27-24-20-11-22(26-12-21(20)17(3)28-29-24)31-8-7-30-9-10-32-14-18(30)13-31;1-12-5-4-6-17(21(12)23(24,25)26)13(2)28-22-18-8-20(27-9-19(18)14(3)29-30-22)31-10-16-7-15(31)11-32-16;1-14-8-17(24)9-21(26-14)16(3)27-23-19-10-22(25-11-20(19)15(2)28-29-23)31-5-4-30-6-7-32-13-18(30)12-31;1-13-6-5-7-19(14(13)2)15(3)25-23-20-9-22(24-10-21(20)16(4)26-27-23)28-11-17-8-18(12-28)29-17;1-12-6-5-7-15(19(12)22)13(2)24-20-16-8-18(27-10-21(4,28)11-27)23-9-17(16)14(3)25-26-20;1-11-4-14(22)5-19(24-11)13(3)25-21-17-7-20(23-8-18(17)12(2)26-27-21)28-9-15-6-16(10-28)29-15;1-11-5-14(21)6-17(23-11)13(3)24-19-15-7-18(27-9-20(4,28)10-27)22-8-16(15)12(2)25-26-19/h4-6,11-12,16,18H,7-10,13-14H2,1-3H3,(H,27,29);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,28,30);8-11,16,18H,4-7,12-13H2,1-3H3,(H2,24,26)(H,27,29);5-7,9-10,15,17-18H,8,11-12H2,1-4H3,(H,25,27);5-9,13,28H,10-11H2,1-4H3,(H,24,26);4-5,7-8,13,15-16H,6,9-10H2,1-3H3,(H2,22,24)(H,25,27);5-8,13,28H,9-10H2,1-4H3,(H2,21,23)(H,24,26)/t16-,18+;13-,15-,16-;16-,18+;15-,17?,18?;13-;13-,15?,16?;13-/m1111111/s1
InChIKeyRIGHRLDOVPGUSS-UFJIDUHISA-N
XLogP23.36
TPSA587.40 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds28
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.46
LogP ≤ 523.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine (CID 160633718) is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine is Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)n1.Cc1cc(N)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)n1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(O)C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5CC(C4)O5)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1F.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5C[C@@H]4CO5)cc23)c1C(F)(F)F.
What is the InChIKey of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is RIGHRLDOVPGUSS-UFJIDUHISA-N. The full InChI is InChI=1S/C24H29FN6O.C23H24F3N5O.C23H30N8O.C23H27N5O.C21H24FN5O.C21H25N7O.C20H25N7O/c1-15-5-4-6-19(23(15)25)16(2)27-24-20-11-22(26-12-21(20)17(3)28-29-24)31-8-7-30-9-10-32-14-18(30)13-31;1-12-5-4-6-17(21(12)23(24,25)26)13(2)28-22-18-8-20(27-9-19(18)14(3)29-30-22)31-10-16-7-15(31)11-32-16;1-14-8-17(24)9-21(26-14)16(3)27-23-19-10-22(25-11-20(19)15(2)28-29-23)31-5-4-30-6-7-32-13-18(30)12-31;1-13-6-5-7-19(14(13)2)15(3)25-23-20-9-22(24-10-21(20)16(4)26-27-23)28-11-17-8-18(12-28)29-17;1-12-6-5-7-15(19(12)22)13(2)24-20-16-8-18(27-10-21(4,28)11-27)23-9-17(16)14(3)25-26-20;1-11-4-14(22)5-19(24-11)13(3)25-21-17-7-20(23-8-18(17)12(2)26-27-21)28-9-15-6-16(10-28)29-15;1-11-5-14(21)6-17(23-11)13(3)24-19-15-7-18(27-9-20(4,28)10-27)22-8-16(15)12(2)25-26-19/h4-6,11-12,16,18H,7-10,13-14H2,1-3H3,(H,27,29);4-6,8-9,13,15-16H,7,10-11H2,1-3H3,(H,28,30);8-11,16,18H,4-7,12-13H2,1-3H3,(H2,24,26)(H,27,29);5-7,9-10,15,17-18H,8,11-12H2,1-4H3,(H,25,27);5-9,13,28H,10-11H2,1-4H3,(H,24,26);4-5,7-8,13,15-16H,6,9-10H2,1-3H3,(H2,22,24)(H,25,27);5-8,13,28H,9-10H2,1-4H3,(H2,21,23)(H,24,26)/t16-,18+;13-,15-,16-;16-,18+;15-,17?,18?;13-;13-,15?,16?;13-/m1111111/s1.
What are the key properties of 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine?
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2856.46 g/mol, XLogP of 23.36, 28 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(4-amino-6-methyl-2-pyridinyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;1-[1-[[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;4-methyl-N-[(1R)-1-[3-methyl-2-(trifluoromethyl)phenyl]ethyl]-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 160633718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).