N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C134H158FN29O9S2 — CID 159071790

IUPACN-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(O[C@H]4CCOC4)cc23)s1.Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1S(C)(=O)=O.Cc1cc(F)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1C
InChIInChI=1S/C26H29N5O2S.C22H27N5O3S.C22H27N5O.C22H26N4O.C21H24FN5O.C21H25N5O/c1-16-22-14-28-25(33-19-10-11-32-15-19)12-21(22)26(31-30-16)29-17(2)23-8-9-24(34-23)20-7-5-4-6-18(20)13-27-3;1-14-17(6-5-7-20(14)31(4,28)29)15(2)24-22-18-12-21(27-8-10-30-11-9-27)23-13-19(18)16(3)25-26-22;1-14-6-5-7-18(15(14)2)16(3)24-22-19-12-21(27-8-10-28-11-9-27)23-13-20(19)17(4)25-26-22;1-15-5-4-6-18(13-15)16(2)23-22-21-14-19(26-9-11-27-12-10-26)7-8-20(21)17(3)24-25-22;1-13-8-16(10-17(22)9-13)14(2)24-21-18-11-20(27-4-6-28-7-5-27)23-12-19(18)15(3)25-26-21;1-14-5-4-6-17(11-14)15(2)23-21-18-12-20(26-7-9-27-10-8-26)22-13-19(18)16(3)24-25-21/h4-9,12,14,17,19,27H,10-11,13,15H2,1-3H3,(H,29,31);5-7,12-13,15H,8-11H2,1-4H3,(H,24,26);5-7,12-13,16H,8-11H2,1-4H3,(H,24,26);4-8,13-14,16H,9-12H2,1-3H3,(H,23,25);8-12,14H,4-7H2,1-3H3,(H,24,26);4-6,11-13,15H,7-10H2,1-3H3,(H,23,25)/t17-,19+;15-;2*16-;14-;15-/m111111/s1
InChIKeyJZSXYRXCWSTYSD-ZXWPJHMOSA-N
MW2402.06 g/mol
LogP23.83
Rot. Bonds29

About N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 159071790) has the molecular formula C134H158FN29O9S2 and a molecular weight of 2402.06 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
PubChem CID159071790
Molecular FormulaC134H158FN29O9S2
Molecular Weight2402.06 g/mol
Exact Mass2400.22
IUPAC NameN-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(O[C@H]4CCOC4)cc23)s1.Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1S(C)(=O)=O.Cc1cc(F)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1C
InChIInChI=1S/C26H29N5O2S.C22H27N5O3S.C22H27N5O.C22H26N4O.C21H24FN5O.C21H25N5O/c1-16-22-14-28-25(33-19-10-11-32-15-19)12-21(22)26(31-30-16)29-17(2)23-8-9-24(34-23)20-7-5-4-6-18(20)13-27-3;1-14-17(6-5-7-20(14)31(4,28)29)15(2)24-22-18-12-21(27-8-10-30-11-9-27)23-13-19(18)16(3)25-26-22;1-14-6-5-7-18(15(14)2)16(3)24-22-19-12-21(27-8-10-28-11-9-27)23-13-20(19)17(4)25-26-22;1-15-5-4-6-18(13-15)16(2)23-22-21-14-19(26-9-11-27-12-10-26)7-8-20(21)17(3)24-25-22;1-13-8-16(10-17(22)9-13)14(2)24-21-18-11-20(27-4-6-28-7-5-27)23-12-19(18)15(3)25-26-21;1-14-5-4-6-17(11-14)15(2)23-21-18-12-20(26-7-9-27-10-8-26)22-13-19(18)16(3)24-25-21/h4-9,12,14,17,19,27H,10-11,13,15H2,1-3H3,(H,29,31);5-7,12-13,15H,8-11H2,1-4H3,(H,24,26);5-7,12-13,16H,8-11H2,1-4H3,(H,24,26);4-8,13-14,16H,9-12H2,1-3H3,(H,23,25);8-12,14H,4-7H2,1-3H3,(H,24,26);4-6,11-13,15H,7-10H2,1-3H3,(H,23,25)/t17-,19+;15-;2*16-;14-;15-/m111111/s1
InChIKeyJZSXYRXCWSTYSD-ZXWPJHMOSA-N
XLogP23.83
TPSA418.29 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002402.06
LogP ≤ 523.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)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-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine
CID 161160261
4-(aminomethyl)-N-[(1R)-1-[3-(1,1-difluoroethyl)-2-methylphenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-[(dimethylamino)methyl]-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(oxetan-3-yloxy)phthalazin-1-amine;bis(N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine);N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-4-methyl-7-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyridazin-1-amine
CID 167536217
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(1-methylazetidin-3-yl)oxypyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[3,4-d]pyridazin-1-amine
CID 158135535
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-piperidin-4-yloxyphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-pyrrolidin-3-yl]oxyphthalazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 160624449
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-7-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(1-methylazetidin-3-yl)oxypyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine
CID 161645834
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 167551061

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 159071790) is N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is CNCc1ccccc1-c1ccc([C@@H](C)Nc2nnc(C)c3cnc(O[C@H]4CCOC4)cc23)s1.Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)cccc1S(C)(=O)=O.Cc1cc(F)cc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1.Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCOCC4)cc23)c1C.
What is the InChIKey of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is JZSXYRXCWSTYSD-ZXWPJHMOSA-N. The full InChI is InChI=1S/C26H29N5O2S.C22H27N5O3S.C22H27N5O.C22H26N4O.C21H24FN5O.C21H25N5O/c1-16-22-14-28-25(33-19-10-11-32-15-19)12-21(22)26(31-30-16)29-17(2)23-8-9-24(34-23)20-7-5-4-6-18(20)13-27-3;1-14-17(6-5-7-20(14)31(4,28)29)15(2)24-22-18-12-21(27-8-10-30-11-9-27)23-13-19(18)16(3)25-26-22;1-14-6-5-7-18(15(14)2)16(3)24-22-19-12-21(27-8-10-28-11-9-27)23-13-20(19)17(4)25-26-22;1-15-5-4-6-18(13-15)16(2)23-22-21-14-19(26-9-11-27-12-10-26)7-8-20(21)17(3)24-25-22;1-13-8-16(10-17(22)9-13)14(2)24-21-18-11-20(27-4-6-28-7-5-27)23-12-19(18)15(3)25-26-21;1-14-5-4-6-17(11-14)15(2)23-21-18-12-20(26-7-9-27-10-8-26)22-13-19(18)16(3)24-25-21/h4-9,12,14,17,19,27H,10-11,13,15H2,1-3H3,(H,29,31);5-7,12-13,15H,8-11H2,1-4H3,(H,24,26);5-7,12-13,16H,8-11H2,1-4H3,(H,24,26);4-8,13-14,16H,9-12H2,1-3H3,(H,23,25);8-12,14H,4-7H2,1-3H3,(H,24,26);4-6,11-13,15H,7-10H2,1-3H3,(H,23,25)/t17-,19+;15-;2*16-;14-;15-/m111111/s1.
What are the key properties of N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 2402.06 g/mol, XLogP of 23.83, 29 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-[(3S)-oxolan-3-yl]oxypyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(2-methyl-3-methylsulfonylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylphthalazin-1-amine;4-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 159071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).