cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine

C146H188N36O3 — CID 157357354

IUPACcyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
SMILESCC(=O)N1CCN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)CC1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(CCO)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC[C@@H](N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC[C@H](N(C)C)C4)cc23)c1C
InChIInChI=1S/C26H32N6O.C24H30N6O.C24H32N6O.C24H30N6.2C24H32N6/c1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20;1-15-7-6-8-20(16(15)2)17(3)26-24-21-13-23(25-14-22(21)18(4)27-28-24)30-11-9-29(10-12-30)19(5)31;1-16-6-5-7-20(17(16)2)18(3)26-24-21-14-23(25-15-22(21)19(4)27-28-24)30-10-8-29(9-11-30)12-13-31;1-15-7-6-8-19(16(15)2)17(3)26-23-20-9-22(25-10-21(20)18(4)27-28-23)30-13-24(14-30)11-29(5)12-24;2*1-15-8-7-9-20(16(15)2)17(3)26-24-21-12-23(25-13-22(21)18(4)27-28-24)30-11-10-19(14-30)29(5)6/h5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30);6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,14-15,18,31H,8-13H2,1-4H3,(H,26,28);6-10,17H,11-14H2,1-5H3,(H,26,28);2*7-9,12-13,17,19H,10-11,14H2,1-6H3,(H,26,28)/t18-;17-;18-;17-;17-,19+;17-,19-/m111111/s1
InChIKeyBIGAAXIZNOJUFI-VGCGUSOTSA-N
MW2495.36 g/mol
LogP23.61
Rot. Bonds29

About cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine

cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine (PubChem CID 157357354) has the molecular formula C146H188N36O3 and a molecular weight of 2495.36 g/mol. Its IUPAC name is cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Namecyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
PubChem CID157357354
Molecular FormulaC146H188N36O3
Molecular Weight2495.36 g/mol
Exact Mass2493.57
IUPAC Namecyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine
SMILESCC(=O)N1CCN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)CC1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(CCO)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC[C@@H](N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC[C@H](N(C)C)C4)cc23)c1C
InChIInChI=1S/C26H32N6O.C24H30N6O.C24H32N6O.C24H30N6.2C24H32N6/c1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20;1-15-7-6-8-20(16(15)2)17(3)26-24-21-13-23(25-14-22(21)18(4)27-28-24)30-11-9-29(10-12-30)19(5)31;1-16-6-5-7-20(17(16)2)18(3)26-24-21-14-23(25-15-22(21)19(4)27-28-24)30-10-8-29(9-11-30)12-13-31;1-15-7-6-8-19(16(15)2)17(3)26-23-20-9-22(25-10-21(20)18(4)27-28-23)30-13-24(14-30)11-29(5)12-24;2*1-15-8-7-9-20(16(15)2)17(3)26-24-21-12-23(25-13-22(21)18(4)27-28-24)30-11-10-19(14-30)29(5)6/h5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30);6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,14-15,18,31H,8-13H2,1-4H3,(H,26,28);6-10,17H,11-14H2,1-5H3,(H,26,28);2*7-9,12-13,17,19H,10-11,14H2,1-6H3,(H,26,28)/t18-;17-;18-;17-;17-,19+;17-,19-/m111111/s1
InChIKeyBIGAAXIZNOJUFI-VGCGUSOTSA-N
XLogP23.61
TPSA397.45 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002495.36
LogP ≤ 523.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine with MolForge

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Related Compounds

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;N-[(1R)-1-(2,5-difluoro-3-methylphenyl)ethyl]-7-[3-(dimethylamino)-3-methylazetidin-1-yl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,5-difluoro-3-methylphenyl)ethyl]-7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[3-(dimethylamino)-3-methylazetidin-1-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methylpyrido[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;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 158977889
bis(7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine);7-(4,4-difluoropiperidin-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]-2,6-diazaspiro[3.4]octan-5-one;1-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]-3-methylazetidin-3-ol;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[3,4-d]pyridazin-1-amine
CID 159605853
7-[4-(azetidin-1-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(4,4-difluoropiperidin-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]-2,6-diazaspiro[3.4]octan-5-one;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]-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-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-amine
CID 159767721
CID 160633718
CID 160633718
[1-(3-azaspiro[5.5]undecan-9-ylmethyl)piperidin-4-yl]-[4-[1-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone
CID 171521617
[1-(3-azaspiro[5.5]undecan-9-ylmethyl)piperidin-4-yl]-[4-[4-methyl-1-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone
CID 171521631
9-[[4-[4-[1-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazine-1-carbonyl]piperidin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 176318166
N-[8-amino-5-[1-[[6-[[5-cyclopropyl-1-(2-hydroxyethyl)pyrazol-3-yl]amino]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridin-1-yl]amino]pyrazol-4-yl]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 156477462
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;7-[3-(dimethylamino)azetidin-1-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[4-(dimethylamino)piperidin-1-yl]-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-(4-ethylpiperazin-1-yl)-N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-piperazin-1-ylpyrido[3,4-d]pyridazin-1-amine
CID 157094504
7-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-N-[(1R)-1-(2,5-difluoro-3-methylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,5-difluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine;7-(4-ethylpiperazin-1-yl)-N-[(1R)-1-(5-fluoro-2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(5-fluoro-2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-amine
CID 157131723
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
cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone
CID 157357359

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine (CID 157357354) is cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine is CC(=O)N1CCN(c2cc3c(N[C@H](C)c4cccc(C)c4C)nnc(C)c3cn2)CC1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC5(CN(C)C5)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(CCO)CC4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC[C@@H](N(C)C)C4)cc23)c1C.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CC[C@H](N(C)C)C4)cc23)c1C.
What is the InChIKey of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is BIGAAXIZNOJUFI-VGCGUSOTSA-N. The full InChI is InChI=1S/C26H32N6O.C24H30N6O.C24H32N6O.C24H30N6.2C24H32N6/c1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20;1-15-7-6-8-20(16(15)2)17(3)26-24-21-13-23(25-14-22(21)18(4)27-28-24)30-11-9-29(10-12-30)19(5)31;1-16-6-5-7-20(17(16)2)18(3)26-24-21-14-23(25-15-22(21)19(4)27-28-24)30-10-8-29(9-11-30)12-13-31;1-15-7-6-8-19(16(15)2)17(3)26-23-20-9-22(25-10-21(20)18(4)27-28-23)30-13-24(14-30)11-29(5)12-24;2*1-15-8-7-9-20(16(15)2)17(3)26-24-21-12-23(25-13-22(21)18(4)27-28-24)30-11-10-19(14-30)29(5)6/h5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30);6-8,13-14,17H,9-12H2,1-5H3,(H,26,28);5-7,14-15,18,31H,8-13H2,1-4H3,(H,26,28);6-10,17H,11-14H2,1-5H3,(H,26,28);2*7-9,12-13,17,19H,10-11,14H2,1-6H3,(H,26,28)/t18-;17-;18-;17-;17-,19+;17-,19-/m111111/s1.
What are the key properties of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine?
cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2495.36 g/mol, XLogP of 23.61, 29 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone;7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methylpyrido[3,4-d]pyridazin-1-amine;2-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanol;1-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]ethanone;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 157357354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).