About 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide
2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide (PubChem CID 157211528) has the molecular formula C140H177Cl2F5N34O10S5
and a molecular weight of 2822.41 g/mol. Its IUPAC name is 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide?
The IUPAC name of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide (CID 157211528) is 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide?
The canonical SMILES for 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide is CC1(C)CN(CCS(C)(=O)=O)Cc2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21.CC1(C)CN(CCS(N)(=O)=O)Cc2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CCN(CC)S(=O)(=O)CCCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3F)C4)cc21.CCN(CC)S(=O)(=O)CCCCN1Cc2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc2C(C)(C)C1.CN(C)S(=O)(=O)CCN1Cc2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc2C(C)(C)C1.
What is the InChIKey of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide?
The InChIKey is ARYFDITVAVWPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42FN7O2S.C30H40FN7O2S.C27H34ClN7O2S.C26H31ClN6O2S.C26H30F3N7O2S/c1-5-39(6-2)42(40,41)17-8-7-15-37-19-23-18-24(11-12-26(23)31(3,4)21-37)36-29-25-13-16-38(20-28(25)34-22-35-29)30-27(32)10-9-14-33-30;1-5-38(6-2)41(39,40)17-8-7-15-37-20-30(3,4)24-12-11-22(18-27(24)37)35-28-23-13-16-36(19-26(23)33-21-34-28)29-25(31)10-9-14-32-29;1-27(2)17-34(12-13-38(36,37)33(3)4)15-19-14-20(7-8-22(19)27)32-25-21-9-11-35(16-24(21)30-18-31-25)26-23(28)6-5-10-29-26;1-26(2)16-32(11-12-36(3,34)35)14-18-13-19(6-7-21(18)26)31-24-20-8-10-33(15-23(20)29-17-30-24)25-22(27)5-4-9-28-25;1-25(2)15-35(10-11-39(30,37)38)13-17-12-18(5-6-20(17)25)34-23-19-7-9-36(14-22(19)32-16-33-23)24-21(26(27,28)29)4-3-8-31-24/h9-12,14,18,22H,5-8,13,15-17,19-21H2,1-4H3,(H,34,35,36);9-12,14,18,21H,5-8,13,15-17,19-20H2,1-4H3,(H,33,34,35);5-8,10,14,18H,9,11-13,15-17H2,1-4H3,(H,30,31,32);4-7,9,13,17H,8,10-12,14-16H2,1-3H3,(H,29,30,31);3-6,8,12,16H,7,9-11,13-15H2,1-2H3,(H2,30,37,38)(H,32,33,34).
What are the key properties of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide?
2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide has a molecular weight of 2822.41 g/mol, XLogP of 21.09, 41 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-2-(2-methylsulfonylethyl)-1,3-dihydroisoquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[7-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]butane-1-sulfonamide;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1,3-dihydroisoquinolin-2-yl]ethanesulfonamide is sourced from PubChem (CID 157211528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).