About 8-[4-(amino-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-[(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
8-[4-(amino-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-[(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 (PubChem CID 165064753) has the molecular formula C153H145F6N29O10S2
and a molecular weight of 2728.16 g/mol. Its IUPAC name is 8-[4-(amino-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-[(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.
Frequently Asked Questions
What is the IUPAC name of 8-[4-(amino-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-[(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?
The IUPAC name of 8-[4-(amino-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-[(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) is 8-[4-(amino-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-[(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.
What is the SMILES notation for 8-[4-(amino-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-[(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?
The canonical SMILES for 8-[4-(amino-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-[(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 is C=S(N)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)cc1.Cc1c(CN(C)C)ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnncc23)c1C.Cc1cc(C(=O)N(C)C)ncc1-c1ccc(NCc2c(F)ccc3c2CCO3)c2cnncc12.Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12.Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnncc12.Fc1ccc2c(c1CNc1ncc(-c3ccc(CN4CCCC4)cc3)c3cnncc13)CCO2.
What is the InChIKey of 8-[4-(amino-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-[(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?
The InChIKey is RTYURBPBNSSUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O.C27H28FN5O.C26H24FN5O2.C26H26FN5O.C24H21FN4O3S.C23H20FN5O2S/c28-25-7-8-26-20(9-12-34-26)23(25)14-30-27-24-16-32-31-15-22(24)21(13-29-27)19-5-3-18(4-6-19)17-33-10-1-2-11-33;1-16-17(2)19(6-5-18(16)15-33(3)4)21-11-29-27(24-14-32-31-13-22(21)24)30-12-23-20-9-10-34-26(20)8-7-25(23)28;1-15-10-24(26(33)32(2)3)29-11-18(15)16-4-6-23(21-14-31-30-13-19(16)21)28-12-20-17-8-9-34-25(17)7-5-22(20)27;1-16-10-17(15-32(2)3)4-5-18(16)20-11-28-26(23-14-31-30-13-21(20)23)29-12-22-19-8-9-33-25(19)7-6-24(22)27;1-14-9-15(33(2,30)31)3-4-16(14)18-10-26-24(21-13-29-28-12-19(18)21)27-11-20-17-7-8-32-23(17)6-5-22(20)25;1-32(25,30)15-4-2-14(3-5-15)17-10-26-23(20-13-29-28-12-18(17)20)27-11-19-16-8-9-31-22(16)7-6-21(19)24/h3-8,13,15-16H,1-2,9-12,14,17H2,(H,29,30);5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,29,30);4-7,10-11,13-14,28H,8-9,12H2,1-3H3;4-7,10-11,13-14H,8-9,12,15H2,1-3H3,(H,28,29);3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27);2-7,10,12-13H,1,8-9,11H2,(H2,25,30)(H,26,27).
What are the key properties of 8-[4-(amino-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-[(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?
8-[4-(amino-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-[(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 has a molecular weight of 2728.16 g/mol, XLogP of 26.58, 33 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(amino-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-[(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 is sourced from PubChem (CID 165064753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).