7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C139H175N33O3 — CID 158047211

IUPAC7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(CO)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5CC[C@@H]4CN5C)cc23)c1C.Cc1ccccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C25H32N6O.C25H32N6.C24H32N6.C23H29N5O.C21H25N5O.C21H25N5/c1-16-6-5-7-21(17(16)2)18(3)27-25-22-12-24(26-13-23(22)19(4)28-29-25)31-9-8-30-10-11-32-15-20(30)14-31;1-15-7-6-8-21(16(15)2)17(3)27-25-22-11-24(26-12-23(22)18(4)28-29-25)31-14-19-9-10-20(31)13-30(19)5;1-15-9-8-10-19(16(15)2)17(3)26-23-20-11-22(25-12-21(20)18(4)27-28-23)30-13-24(5,14-30)29(6)7;1-14-7-6-8-18(15(14)2)16(3)25-22-19-9-21(28-11-23(5,12-28)13-29)24-10-20(19)17(4)26-27-22;1-14-6-4-5-7-17(14)15(2)23-21-18-12-20(26-8-10-27-11-9-26)22-13-19(18)16(3)24-25-21;1-13-7-5-8-17(14(13)2)15(3)23-21-18-11-20(26-9-6-10-26)22-12-19(18)16(4)24-25-21/h5-7,12-13,18,20H,8-11,14-15H2,1-4H3,(H,27,29);6-8,11-12,17,19-20H,9-10,13-14H2,1-5H3,(H,27,29);8-12,17H,13-14H2,1-7H3,(H,26,28);6-10,16,29H,11-13H2,1-5H3,(H,25,27);4-7,12-13,15H,8-11H2,1-3H3,(H,23,25);5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,23,25)/t18-,20+;17-,19-,20-;17-;16-;2*15-/m111111/s1
InChIKeyFJBFQXANLQRZBS-HOHKKMLBSA-N
MW2356.16 g/mol
LogP24.24
Rot. Bonds26

About 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 158047211) has the molecular formula C139H175N33O3 and a molecular weight of 2356.16 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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
PubChem CID158047211
Molecular FormulaC139H175N33O3
Molecular Weight2356.16 g/mol
Exact Mass2354.46
IUPAC Name7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(CO)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5CC[C@@H]4CN5C)cc23)c1C.Cc1ccccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C25H32N6O.C25H32N6.C24H32N6.C23H29N5O.C21H25N5O.C21H25N5/c1-16-6-5-7-21(17(16)2)18(3)27-25-22-12-24(26-13-23(22)19(4)28-29-25)31-9-8-30-10-11-32-15-20(30)14-31;1-15-7-6-8-21(16(15)2)17(3)27-25-22-11-24(26-12-23(22)18(4)28-29-25)31-14-19-9-10-20(31)13-30(19)5;1-15-9-8-10-19(16(15)2)17(3)26-23-20-11-22(25-12-21(20)18(4)27-28-23)30-13-24(5,14-30)29(6)7;1-14-7-6-8-18(15(14)2)16(3)25-22-19-9-21(28-11-23(5,12-28)13-29)24-10-20(19)17(4)26-27-22;1-14-6-4-5-7-17(14)15(2)23-21-18-12-20(26-8-10-27-11-9-26)22-13-19(18)16(3)24-25-21;1-13-7-5-8-17(14(13)2)15(3)23-21-18-11-20(26-9-6-10-26)22-12-19(18)16(4)24-25-21/h5-7,12-13,18,20H,8-11,14-15H2,1-4H3,(H,27,29);6-8,11-12,17,19-20H,9-10,13-14H2,1-5H3,(H,27,29);8-12,17H,13-14H2,1-7H3,(H,26,28);6-10,16,29H,11-13H2,1-5H3,(H,25,27);4-7,12-13,15H,8-11H2,1-3H3,(H,23,25);5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,23,25)/t18-,20+;17-,19-,20-;17-;16-;2*15-/m111111/s1
InChIKeyFJBFQXANLQRZBS-HOHKKMLBSA-N
XLogP24.24
TPSA372.05 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.16
LogP ≤ 524.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 158047211) is 7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(CO)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4C[C@H]5CC[C@@H]4CN5C)cc23)c1C.Cc1ccccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12.
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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is FJBFQXANLQRZBS-HOHKKMLBSA-N. The full InChI is InChI=1S/C25H32N6O.C25H32N6.C24H32N6.C23H29N5O.C21H25N5O.C21H25N5/c1-16-6-5-7-21(17(16)2)18(3)27-25-22-12-24(26-13-23(22)19(4)28-29-25)31-9-8-30-10-11-32-15-20(30)14-31;1-15-7-6-8-21(16(15)2)17(3)27-25-22-11-24(26-12-23(22)18(4)28-29-25)31-14-19-9-10-20(31)13-30(19)5;1-15-9-8-10-19(16(15)2)17(3)26-23-20-11-22(25-12-21(20)18(4)27-28-23)30-13-24(5,14-30)29(6)7;1-14-7-6-8-18(15(14)2)16(3)25-22-19-9-21(28-11-23(5,12-28)13-29)24-10-20(19)17(4)26-27-22;1-14-6-4-5-7-17(14)15(2)23-21-18-12-20(26-8-10-27-11-9-26)22-13-19(18)16(3)24-25-21;1-13-7-5-8-17(14(13)2)15(3)23-21-18-11-20(26-9-6-10-26)22-12-19(18)16(4)24-25-21/h5-7,12-13,18,20H,8-11,14-15H2,1-4H3,(H,27,29);6-8,11-12,17,19-20H,9-10,13-14H2,1-5H3,(H,27,29);8-12,17H,13-14H2,1-7H3,(H,26,28);6-10,16,29H,11-13H2,1-5H3,(H,25,27);4-7,12-13,15H,8-11H2,1-3H3,(H,23,25);5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,23,25)/t18-,20+;17-,19-,20-;17-;16-;2*15-/m111111/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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2356.16 g/mol, XLogP of 24.24, 26 rotatable bonds, 7 hydrogen bond donors, and 36 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-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(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-(2,3-dimethylphenyl)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]-3-methylazetidin-3-yl]methanol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 158047211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).