About 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 159339686) has the molecular formula C130H160F3N39O16
and a molecular weight of 2581.96 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile (CID 159339686) is 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile is C#CC1(COc2nc(C(=O)NC34CC(C3)C4)nc(N3CCC(COc4cccnc4N)CC3)n2)CC1.C#CC1(COc2nc(C(=O)NCC(F)(F)F)nc(N3CCC(COc4cccnc4N)CC3)n2)CC1.CCCC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(OC[C@H]2C[C@H]2C#N)n1.CCCC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.CCNC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1.
What is the InChIKey of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is LFZFDWJSERKDER-HDAJSXNWSA-N. The full InChI is InChI=1S/C28H34N8O3.C27H37N7O4.C26H32N10O3.C26H31N7O3.C23H26F3N7O3/c1-3-4-24(37)22-11-26(34-28(33-22)39-16-21-9-19(21)12-29)36-7-5-18(6-8-36)15-38-25-10-20(13-32-27(25)30)23-14-31-17-35(23)2;1-5-6-23(35)21-12-25(32-27(31-21)38-18(2)15-36-4)34-9-7-19(8-10-34)16-37-24-11-20(13-30-26(24)28)22-14-29-17-33(22)3;1-3-29-24(37)23-32-25(34-26(33-23)39-14-19-8-17(19)10-27)36-6-4-16(5-7-36)13-38-21-9-18(11-30-22(21)28)20-12-35(2)15-31-20;1-2-25(7-8-25)16-36-24-30-21(22(34)32-26-12-18(13-26)14-26)29-23(31-24)33-10-5-17(6-11-33)15-35-19-4-3-9-28-20(19)27;1-2-22(7-8-22)14-36-21-31-18(19(34)29-13-23(24,25)26)30-20(32-21)33-10-5-15(6-11-33)12-35-16-4-3-9-28-17(16)27/h10-11,13-14,17-19,21H,3-9,15-16H2,1-2H3,(H2,30,32);11-14,17-19H,5-10,15-16H2,1-4H3,(H2,28,30);9,11-12,15-17,19H,3-8,13-14H2,1-2H3,(H2,28,30)(H,29,37);1,3-4,9,17-18H,5-8,10-16H2,(H2,27,28)(H,32,34);1,3-4,9,15H,5-8,10-14H2,(H2,27,28)(H,29,34)/t19-,21+;18-;17-,19+;;/m010../s1.
What are the key properties of 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 2581.96 g/mol, XLogP of 13.50, 51 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;1-[6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]butan-1-one;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 159339686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).