About 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide
2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide (PubChem CID 160961305) has the molecular formula C144H197N29O16S6
and a molecular weight of 2782.75 g/mol. Its IUPAC name is 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide (CID 160961305) is 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide is C.C.C.C.C=C(NC(C)c1cn(C)nc1C)c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1.CC(C)(CC(=O)c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)c1ccncc1.CN1C[C@@H](Nc2nc(N3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(CNS(C)(=O)=O)(c4ccccc4)CC3)nc3c2S(=O)CC3)CCC1=O.Cc1ccc(C2(O)CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)cc1.
What is the InChIKey of 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is SXAVGBQAYPICHB-PQTFGKGJSA-N. The full InChI is InChI=1S/C32H39N5O3S.C31H41N7O2S.C28H36N6O4S.C25H34N6O4S2.C24H31N5O3S.4CH4/c1-32(2,25-6-13-33-14-7-25)21-28(38)24-5-3-4-23(20-24)22-8-15-37(16-9-22)31-35-27-12-19-41(39)29(27)30(36-31)34-26-10-17-40-18-11-26;1-20(32-21(2)27-19-37(4)36-22(27)3)24-6-5-7-25(18-24)23-8-13-38(14-9-23)31-34-28-12-17-41(39)29(28)30(35-31)33-26-10-15-40-16-11-26;1-32-19-21(7-8-23(32)35)29-25-24-22(9-18-39(24)37)30-27(31-25)34-12-10-28(11-13-34,20-5-3-2-4-6-20)26(36)33-14-16-38-17-15-33;1-30-16-19(8-9-21(30)32)27-23-22-20(10-15-36(22)33)28-24(29-23)31-13-11-25(12-14-31,17-26-37(2,34)35)18-6-4-3-5-7-18;1-16-3-5-17(6-4-16)24(31)10-12-29(13-11-24)23-26-19-9-14-33(32)21(19)22(27-23)25-18-7-8-20(30)28(2)15-18;;;;/h3-7,13-14,20,22,26H,8-12,15-19,21H2,1-2H3,(H,34,35,36);5-7,18-19,21,23,26,32H,1,8-17H2,2-4H3,(H,33,34,35);2-6,21H,7-19H2,1H3,(H,29,30,31);3-7,19,26H,8-17H2,1-2H3,(H,27,28,29);3-6,18,31H,7-15H2,1-2H3,(H,25,26,27);4*1H4/t;;21-,39?;19-,36?;18-,33?;;;;/m..000..../s1.
What are the key properties of 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide?
2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 2782.75 g/mol, XLogP of 16.88, 32 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;(5S)-5-[[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;3-methyl-1-[3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenyl]-3-pyridin-4-ylbutan-1-one;N-[[1-[4-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 160961305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).