About cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol (PubChem CID 157442151) has the molecular formula C113H115Cl2F11N18O17
and a molecular weight of 2277.16 g/mol. Its IUPAC name is cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol.
Frequently Asked Questions
What is the IUPAC name of cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol (CID 157442151) is cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol is Cc1cc(N(C)C2CC(C(O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)ncn1.Cc1ncnc2c1ccn2C1CC(C(F)c2ccc(F)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2C1CC([C@@H](O)c2cc(F)c(F)c(F)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2C1CC([C@@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O.Nc1ccnc2c1ccn2C1CC(C(O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O.Nc1ccnc2c1ccn2C1CC([C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O.
What is the InChIKey of cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol?
The InChIKey is BRUJHYXAFDGYOO-HTONGCNKSA-N. The full InChI is InChI=1S/2C19H19ClFN3O3.C19H18F3N3O3.C19H19F2N3O3.C19H19F2N3O2.C18H21F2N3O3/c2*20-12-2-1-9(7-13(12)21)16(25)11-8-15(18(27)17(11)26)24-6-4-10-14(22)3-5-23-19(10)24;1-8-10-2-3-25(19(10)24-7-23-8)14-6-11(17(27)18(14)28)16(26)9-4-12(20)15(22)13(21)5-9;1-9-11-4-5-24(19(11)23-8-22-9)15-7-12(17(26)18(15)27)16(25)10-2-3-13(20)14(21)6-10;1-10-13-6-7-24(19(13)23-9-22-10)15-8-14(17(25)18(15)26)16(21)11-2-4-12(20)5-3-11;1-9-5-15(22-8-21-9)23(2)14-7-11(17(25)18(14)26)16(24)10-3-4-12(19)13(20)6-10/h2*1-7,11,15-18,25-27H,8H2,(H2,22,23);2-5,7,11,14,16-18,26-28H,6H2,1H3;2-6,8,12,15-18,25-27H,7H2,1H3;2-7,9,14-18,25-26H,8H2,1H3;3-6,8,11,14,16-18,24-26H,7H2,1-2H3/t11?,15?,16?,17-,18+;11?,15?,16-,17+,18-;11?,14?,16-,17+,18-;12?,15?,16-,17+,18-;14?,15?,16?,17-,18+;11?,14?,16?,17-,18+/m100011/s1.
What are the key properties of cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol?
cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol has a molecular weight of 2277.16 g/mol, XLogP of 13.28, 19 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methylpyrimidin-4-yl)amino]cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 157442151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).