About cis-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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 159283684) has the molecular formula C135H140ClF12N23O18
and a molecular weight of 2636.18 g/mol. Its IUPAC name is cis-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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 159283684) is cis-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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 Cc1ncnc2c1c(F)cn2C1CC(C(O)c2ccc(F)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1c(F)cn2C1CC([C@@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2C1CC(C(CN)c2ccc(F)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2C1CC(C(F)c2ccc(F)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2C1CC([C@@H](CN)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.Nc1ccnc2c1ccn2C1CC(C(O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O.
What is the InChIKey of cis-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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 KZFSTWLFLCTZLW-QUOJOISMSA-N. The full InChI is InChI=1S/2C20H23FN4O2.C19H19ClFN3O3.C19H18F3N3O3.2C19H19F2N3O3.C19H19F2N3O2/c2*1-11-14-6-7-25(20(14)24-10-23-11)17-8-15(18(26)19(17)27)16(9-22)12-2-4-13(21)5-3-12;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;2*1-9-15-13(21)7-24(19(15)23-8-22-9)14-6-12(17(26)18(14)27)16(25)10-2-4-11(20)5-3-10;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/h2*2-7,10,15-19,26-27H,8-9,22H2,1H3;1-7,11,15-18,25-27H,8H2,(H2,22,23);2-5,7,11,14,16-18,26-28H,6H2,1H3;2*2-5,7-8,12,14,16-18,25-27H,6H2,1H3;2-7,9,14-18,25-26H,8H2,1H3/t15?,16?,17?,18-,19+;15?,16-,17?,18+,19-;11?,15?,16?,17-,18+;11?,14?,16-,17+,18-;12?,14?,16?,17-,18+;12?,14?,16-,17+,18-;14?,15?,16?,17-,18+/m1010101/s1.
What are the key properties of cis-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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 2636.18 g/mol, XLogP of 15.35, 23 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1S,2R)-3-[2-amino-1-(4-fluorophenyl)ethyl]-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-(1S,2R)-3-[fluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;cis-(1R,2S)-3-(5-fluoro-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]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 159283684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).