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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine

C150H196N36O2 — CID 157354502

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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1C
InChIInChI=1S/C26H36N6.C25H30N6O.C25H32N6O.C25H32N6.C25H34N6.C24H32N6/c1-17-9-8-10-21(18(17)2)19(3)28-25-22-15-24(27-16-23(22)20(4)29-30-25)32-13-11-26(5,12-14-32)31(6)7;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;1-16-6-5-7-21(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;1-16-7-6-8-20(17(16)2)18(3)27-24-21-11-23(26-12-22(21)19(4)28-29-24)31-14-25(15-31)9-10-30(5)13-25;1-16-8-7-9-21(17(16)2)18(3)27-25-22-14-24(26-15-23(22)19(4)28-29-25)31-12-10-20(11-13-31)30(5)6;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/h8-10,15-16,19H,11-14H2,1-7H3,(H,28,30);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);5-7,12-13,18,20H,8-11,14-15H2,1-4H3,(H,27,29);6-8,11-12,18H,9-10,13-15H2,1-5H3,(H,27,29);7-9,14-15,18,20H,10-13H2,1-6H3,(H,27,29);8-12,17H,13-14H2,1-7H3,(H,26,28)/t19-;17-;18-,20+;2*18-;17-/m111111/s1
InChIKeyBHXQMFJQNVWIDF-DPLYTMEHSA-N
MW2535.47 g/mol
LogP25.66
Rot. Bonds27

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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine (PubChem CID 157354502) has the molecular formula C150H196N36O2 and a molecular weight of 2535.47 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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine
PubChem CID157354502
Molecular FormulaC150H196N36O2
Molecular Weight2535.47 g/mol
Exact Mass2533.63
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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1C
InChIInChI=1S/C26H36N6.C25H30N6O.C25H32N6O.C25H32N6.C25H34N6.C24H32N6/c1-17-9-8-10-21(18(17)2)19(3)28-25-22-15-24(27-16-23(22)20(4)29-30-25)32-13-11-26(5,12-14-32)31(6)7;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;1-16-6-5-7-21(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;1-16-7-6-8-20(17(16)2)18(3)27-24-21-11-23(26-12-22(21)19(4)28-29-24)31-14-25(15-31)9-10-30(5)13-25;1-16-8-7-9-21(17(16)2)18(3)27-25-22-14-24(26-15-23(22)19(4)28-29-25)31-12-10-20(11-13-31)30(5)6;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/h8-10,15-16,19H,11-14H2,1-7H3,(H,28,30);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);5-7,12-13,18,20H,8-11,14-15H2,1-4H3,(H,27,29);6-8,11-12,18H,9-10,13-15H2,1-5H3,(H,27,29);7-9,14-15,18,20H,10-13H2,1-6H3,(H,27,29);8-12,17H,13-14H2,1-7H3,(H,26,28)/t19-;17-;18-,20+;2*18-;17-/m111111/s1
InChIKeyBHXQMFJQNVWIDF-DPLYTMEHSA-N
XLogP25.66
TPSA369.38 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.47
LogP ≤ 525.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine (CID 157354502) 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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine is Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC(C)(N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CCN(C)C5=O)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(N(C)C)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN5CCOC[C@@H]5C4)cc23)c1C.
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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is BHXQMFJQNVWIDF-DPLYTMEHSA-N. The full InChI is InChI=1S/C26H36N6.C25H30N6O.C25H32N6O.C25H32N6.C25H34N6.C24H32N6/c1-17-9-8-10-21(18(17)2)19(3)28-25-22-15-24(27-16-23(22)20(4)29-30-25)32-13-11-26(5,12-14-32)31(6)7;1-15-7-6-8-19(16(15)2)17(3)27-23-20-11-22(26-12-21(20)18(4)28-29-23)31-13-25(14-31)9-10-30(5)24(25)32;1-16-6-5-7-21(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;1-16-7-6-8-20(17(16)2)18(3)27-24-21-11-23(26-12-22(21)19(4)28-29-24)31-14-25(15-31)9-10-30(5)13-25;1-16-8-7-9-21(17(16)2)18(3)27-25-22-14-24(26-15-23(22)19(4)28-29-25)31-12-10-20(11-13-31)30(5)6;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/h8-10,15-16,19H,11-14H2,1-7H3,(H,28,30);6-8,11-12,17H,9-10,13-14H2,1-5H3,(H,27,29);5-7,12-13,18,20H,8-11,14-15H2,1-4H3,(H,27,29);6-8,11-12,18H,9-10,13-15H2,1-5H3,(H,27,29);7-9,14-15,18,20H,10-13H2,1-6H3,(H,27,29);8-12,17H,13-14H2,1-7H3,(H,26,28)/t19-;17-;18-,20+;2*18-;17-/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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-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-(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;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2535.47 g/mol, XLogP of 25.66, 27 rotatable bonds, 6 hydrogen bond donors, and 37 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-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-6-methyl-2,6-diazaspiro[3.4]octan-5-one;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 157354502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).