About [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid (PubChem CID 164992268) has the molecular formula C111H165Cl5F3N20O40P5
and a molecular weight of 2808.77 g/mol. Its IUPAC name is [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid.
Frequently Asked Questions
What is the IUPAC name of [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid?
The IUPAC name of [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid (CID 164992268) is [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid.
What is the SMILES notation for [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid?
The canonical SMILES for [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid is CC(CN1CCOCC1)(OC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.CC(CN1CCOCC1)(OC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.COCCC(C)(OC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.COCCC(C)(OC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O.COCCC(OC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)(C(F)(F)F)P(=O)(O)O.
What is the InChIKey of [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid?
The InChIKey is HAHXJBWOXRSSHH-LHZQLEERSA-N. The full InChI is InChI=1S/C24H36ClN4O8P.C23H35ClN5O8P.C22H33ClN3O8P.C21H29ClF3N4O8P.C21H32ClN4O8P/c1-24(38(32,33)34,14-28-8-10-35-11-9-28)36-13-18-20(30)21(31)23(37-18)29-7-6-16-17(12-19(25)27-22(16)29)26-15-4-2-3-5-15;1-23(38(32,33)34,13-28-8-10-35-11-9-28)36-12-16-17(30)18(31)21(37-16)29-7-6-15-19(25-14-4-2-3-5-14)26-22(24)27-20(15)29;1-22(8-10-32-2,35(29,30)31)33-12-16-18(27)19(28)21(34-16)26-9-7-14-15(11-17(23)25-20(14)26)24-13-5-3-4-6-13;1-35-9-7-20(21(23,24)25,38(32,33)34)36-10-13-14(30)15(31)18(37-13)29-8-6-12-16(26-11-4-2-3-5-11)27-19(22)28-17(12)29;1-21(8-10-32-2,35(29,30)31)33-11-14-15(27)16(28)19(34-14)26-9-7-13-17(23-12-5-3-4-6-12)24-20(22)25-18(13)26/h6-7,12,15,18,20-21,23,30-31H,2-5,8-11,13-14H2,1H3,(H,26,27)(H2,32,33,34);6-7,14,16-18,21,30-31H,2-5,8-13H2,1H3,(H,25,26,27)(H2,32,33,34);7,9,11,13,16,18-19,21,27-28H,3-6,8,10,12H2,1-2H3,(H,24,25)(H2,29,30,31);6,8,11,13-15,18,30-31H,2-5,7,9-10H2,1H3,(H,26,27,28)(H2,32,33,34);7,9,12,14-16,19,27-28H,3-6,8,10-11H2,1-2H3,(H,23,24,25)(H2,29,30,31)/t18-,20-,21-,23-,24?;16-,17-,18-,21-,23?;16-,18-,19-,21-,22?;13-,14-,15-,18-,20?;14-,15-,16-,19-,21?/m11111/s1.
What are the key properties of [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid?
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid has a molecular weight of 2808.77 g/mol, XLogP of 10.37, 48 rotatable bonds, 25 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxybutan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-morpholin-4-ylpropan-2-yl]phosphonic acid;[2-[[(2R,3S,4R,5R)-5-[2-chloro-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1,1,1-trifluoro-4-methoxybutan-2-yl]phosphonic acid is sourced from PubChem (CID 164992268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).