About 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide
1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide (PubChem CID 157344943) has the molecular formula C144H180Cl2F4N34O8S3
and a molecular weight of 2758.35 g/mol. Its IUPAC name is 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide.
Frequently Asked Questions
What is the IUPAC name of 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide?
The IUPAC name of 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide (CID 157344943) is 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide is CC1(C)CCN(C(=O)CN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21.CC1(C)CCN(C(C)(C)CCN2CCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21.CCN(CC)CCN1CCC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.
What is the InChIKey of 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide?
The InChIKey is BGVPCSMQQGFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN7.C30H41N7O2S.C29H34ClN7O2.C27H32F3N7O2S.C26H31ClN6O2S/c1-31(2)12-19-40(32(3,4)13-18-38-15-5-6-16-38)28-20-23(9-10-25(28)31)37-29-24-11-17-39(21-27(24)35-22-36-29)30-26(33)8-7-14-34-30;1-6-35(7-2)17-18-36-16-13-30(3,4)24-11-10-22(19-26(24)36)34-28-23-12-15-37(20-25(23)32-21-33-28)29-27(40(5,38)39)9-8-14-31-29;1-29(2)8-11-37(26(38)18-35-12-14-39-15-13-35)25-16-20(5-6-22(25)29)34-27-21-7-10-36(17-24(21)32-19-33-27)28-23(30)4-3-9-31-28;1-26(2)9-13-36(11-4-14-40(31,38)39)23-15-18(6-7-20(23)26)35-24-19-8-12-37(16-22(19)33-17-34-24)25-21(27(28,29)30)5-3-10-32-25;1-26(2)9-12-32(13-14-36(3,34)35)23-15-18(6-7-20(23)26)31-24-19-8-11-33(16-22(19)29-17-30-24)25-21(27)5-4-10-28-25/h7-10,14,20,22H,5-6,11-13,15-19,21H2,1-4H3,(H,35,36,37);8-11,14,19,21H,6-7,12-13,15-18,20H2,1-5H3,(H,32,33,34);3-6,9,16,19H,7-8,10-15,17-18H2,1-2H3,(H,32,33,34);3,5-7,10,15,17H,4,8-9,11-14,16H2,1-2H3,(H2,31,38,39)(H,33,34,35);4-7,10,15,17H,8-9,11-14,16H2,1-3H3,(H,29,30,31).
What are the key properties of 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide?
1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide has a molecular weight of 2758.35 g/mol, XLogP of 23.38, 34 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2-morpholin-4-ylethanone;7-(3-chloro-2-pyridinyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[1-[2-(diethylamino)ethyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-2,3-dihydroquinolin-7-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 157344943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).