8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine

C148H138F6N30O11S3 — CID 165035489

IUPAC8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
SMILESC=S(=O)(NC)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.C=S(=O)(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1)N(C)C.CCNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)c(C)c1.CN(C)C(=O)c1ccc(-c2ccc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cn1.CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
InChIInChI=1S/C26H26FN5O.C26H23FN4O2.C25H24FN5O2S.C24H22FN5O2S.C24H22FN5O.C23H21FN6O3S/c1-3-28-11-17-4-5-18(16(2)10-17)20-12-29-26(23-15-32-31-14-21(20)23)30-13-22-19-8-9-33-25(19)7-6-24(22)27;1-31(2)26(32)17-5-3-16(4-6-17)18-7-9-24(22-15-30-29-14-20(18)22)28-13-21-19-11-12-33-25(19)10-8-23(21)27;1-31(2)34(3,32)17-6-4-16(5-7-17)19-12-27-25(22-15-30-29-14-20(19)22)28-13-21-18-10-11-33-24(18)9-8-23(21)26;1-26-33(2,31)16-5-3-15(4-6-16)18-11-27-24(21-14-30-29-13-19(18)21)28-12-20-17-9-10-32-23(17)8-7-22(20)25;1-26-10-15-2-4-16(5-3-15)18-11-27-24(21-14-30-29-13-19(18)21)28-12-20-17-8-9-31-23(17)7-6-22(20)25;1-30(2)34(31,32)22-6-3-14(9-25-22)16-10-26-23(19-13-29-28-12-17(16)19)27-11-18-15-7-8-33-21(15)5-4-20(18)24/h4-7,10,12,14-15,28H,3,8-9,11,13H2,1-2H3,(H,29,30);3-10,14-15,28H,11-13H2,1-2H3;4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,27,28);3-8,11,13-14H,2,9-10,12H2,1H3,(H,26,31)(H,27,28);2-7,11,13-14,26H,8-10,12H2,1H3,(H,27,28);3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27)
InChIKeyNHVZKLOJHKJPEX-UHFFFAOYSA-N
MW2723.12 g/mol
LogP24.12
Rot. Bonds36

About 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine

8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine (PubChem CID 165035489) has the molecular formula C148H138F6N30O11S3 and a molecular weight of 2723.12 g/mol. Its IUPAC name is 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine.

Molecular Properties

Compound Name8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
PubChem CID165035489
Molecular FormulaC148H138F6N30O11S3
Molecular Weight2723.12 g/mol
Exact Mass2721.02
IUPAC Name8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
SMILESC=S(=O)(NC)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.C=S(=O)(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1)N(C)C.CCNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)c(C)c1.CN(C)C(=O)c1ccc(-c2ccc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cn1.CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1
InChIInChI=1S/C26H26FN5O.C26H23FN4O2.C25H24FN5O2S.C24H22FN5O2S.C24H22FN5O.C23H21FN6O3S/c1-3-28-11-17-4-5-18(16(2)10-17)20-12-29-26(23-15-32-31-14-21(20)23)30-13-22-19-8-9-33-25(19)7-6-24(22)27;1-31(2)26(32)17-5-3-16(4-6-17)18-7-9-24(22-15-30-29-14-20(18)22)28-13-21-19-11-12-33-25(19)10-8-23(21)27;1-31(2)34(3,32)17-6-4-16(5-7-17)19-12-27-25(22-15-30-29-14-20(19)22)28-13-21-18-10-11-33-24(18)9-8-23(21)26;1-26-33(2,31)16-5-3-15(4-6-16)18-11-27-24(21-14-30-29-13-19(18)21)28-12-20-17-9-10-32-23(17)8-7-22(20)25;1-26-10-15-2-4-16(5-3-15)18-11-27-24(21-14-30-29-13-19(18)21)28-12-20-17-8-9-31-23(17)7-6-22(20)25;1-30(2)34(31,32)22-6-3-14(9-25-22)16-10-26-23(19-13-29-28-12-17(16)19)27-11-18-15-7-8-33-21(15)5-4-20(18)24/h4-7,10,12,14-15,28H,3,8-9,11,13H2,1-2H3,(H,29,30);3-10,14-15,28H,11-13H2,1-2H3;4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,27,28);3-8,11,13-14H,2,9-10,12H2,1H3,(H,26,31)(H,27,28);2-7,11,13-14,26H,8-10,12H2,1H3,(H,27,28);3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27)
InChIKeyNHVZKLOJHKJPEX-UHFFFAOYSA-N
XLogP24.12
TPSA490.74 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.12
LogP ≤ 524.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine;3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide;7-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-4H-chromen-3-one;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-1H-indazole;N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide;4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine;5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
CID 158302297
(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4-difluoropentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160536492
4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine
CID 158449954
8-(cyclohexen-1-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 158680487
4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine
CID 165028943
8-[4-(amino-methylidene-oxo-lambda6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-[(dimethylamino)methyl]-2,3-dimethylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;5-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
CID 165064753
8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[4,3-d]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N,1-trimethylpyrazole-3-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[2-methyl-4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-propylphenyl)pyrido[4,3-d]pyrimidin-5-amine
CID 165081176

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine?
The IUPAC name of 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine (CID 165035489) is 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine.
What is the SMILES notation for 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine?
The canonical SMILES for 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine is C=S(=O)(NC)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.C=S(=O)(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1)N(C)C.CCNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)c(C)c1.CN(C)C(=O)c1ccc(-c2ccc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.CN(C)S(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cn1.CNCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.
What is the InChIKey of 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine?
The InChIKey is NHVZKLOJHKJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O.C26H23FN4O2.C25H24FN5O2S.C24H22FN5O2S.C24H22FN5O.C23H21FN6O3S/c1-3-28-11-17-4-5-18(16(2)10-17)20-12-29-26(23-15-32-31-14-21(20)23)30-13-22-19-8-9-33-25(19)7-6-24(22)27;1-31(2)26(32)17-5-3-16(4-6-17)18-7-9-24(22-15-30-29-14-20(18)22)28-13-21-19-11-12-33-25(19)10-8-23(21)27;1-31(2)34(3,32)17-6-4-16(5-7-17)19-12-27-25(22-15-30-29-14-20(19)22)28-13-21-18-10-11-33-24(18)9-8-23(21)26;1-26-33(2,31)16-5-3-15(4-6-16)18-11-27-24(21-14-30-29-13-19(18)21)28-12-20-17-9-10-32-23(17)8-7-22(20)25;1-26-10-15-2-4-16(5-3-15)18-11-27-24(21-14-30-29-13-19(18)21)28-12-20-17-8-9-31-23(17)7-6-22(20)25;1-30(2)34(31,32)22-6-3-14(9-25-22)16-10-26-23(19-13-29-28-12-17(16)19)27-11-18-15-7-8-33-21(15)5-4-20(18)24/h4-7,10,12,14-15,28H,3,8-9,11,13H2,1-2H3,(H,29,30);3-10,14-15,28H,11-13H2,1-2H3;4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,27,28);3-8,11,13-14H,2,9-10,12H2,1H3,(H,26,31)(H,27,28);2-7,11,13-14,26H,8-10,12H2,1H3,(H,27,28);3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27).
What are the key properties of 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine?
8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine has a molecular weight of 2723.12 g/mol, XLogP of 24.12, 36 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine is sourced from PubChem (CID 165035489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).