About N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 164951559) has the molecular formula C150H182F4N30O7S6
and a molecular weight of 2785.70 g/mol. Its IUPAC name is N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 164951559) is N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is CNc1c(C(=O)NC[C@@H](C)c2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)NC[C@@H](F)c2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)NC[C@H](C)c2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)N[C@@H](Cc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)C(F)(F)F)sc2nc(C)ccc12.CNc1c(C(=O)N[C@H](C)Cc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.CNc1c(C(=O)N[C@H](COC)Cc2ccc(N3C[C@H]4CC[C@@H](C3)N4)cc2)sc2nc(C)ccc12.
What is the InChIKey of N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is APHDMKHSSIKDDW-RFWUJRAOSA-N. The full InChI is InChI=1S/C26H33N5O2S.C25H28F3N5OS.3C25H31N5OS.C24H28FN5OS/c1-16-4-11-22-23(27-2)24(34-26(22)28-16)25(32)30-20(15-33-3)12-17-5-9-21(10-6-17)31-13-18-7-8-19(14-31)29-18;1-14-3-10-19-21(29-2)22(35-24(19)30-14)23(34)32-20(25(26,27)28)11-15-4-8-18(9-5-15)33-12-16-6-7-17(13-33)31-16;2*1-15(17-5-9-20(10-6-17)30-13-18-7-8-19(14-30)29-18)12-27-24(31)23-22(26-3)21-11-4-16(2)28-25(21)32-23;1-15-4-11-21-22(26-3)23(32-25(21)28-15)24(31)27-16(2)12-17-5-9-20(10-6-17)30-13-18-7-8-19(14-30)29-18;1-14-3-10-19-21(26-2)22(32-24(19)28-14)23(31)27-11-20(25)15-4-8-18(9-5-15)30-12-16-6-7-17(13-30)29-16/h4-6,9-11,18-20,27,29H,7-8,12-15H2,1-3H3,(H,30,32);3-5,8-10,16-17,20,29,31H,6-7,11-13H2,1-2H3,(H,32,34);2*4-6,9-11,15,18-19,26,29H,7-8,12-14H2,1-3H3,(H,27,31);4-6,9-11,16,18-19,26,29H,7-8,12-14H2,1-3H3,(H,27,31);3-5,8-10,16-17,20,26,29H,6-7,11-13H2,1-2H3,(H,27,31)/t18-,19+,20-;16-,17+,20-;2*15-,18-,19+;16-,18-,19+;16-,17+,20-/m001011/s1.
What are the key properties of N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2785.70 g/mol, XLogP of 24.28, 38 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-2-fluoroethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-3-methoxypropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-1-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]propyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-3-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 164951559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).