About (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol
(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol (PubChem CID 161342172) has the molecular formula C138H145Br3Cl2F2N32O12S2
and a molecular weight of 2856.64 g/mol. Its IUPAC name is (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol.
Frequently Asked Questions
What is the IUPAC name of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol (CID 161342172) is (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol is C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cnn3c(N)ccnc23)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@@H](c2cnn3c(N)ccnc23)[C@H](O)[C@@H]1O.Nc1nc2cc(CC[C@H]3S[C@@H](n4ccc5c(N)ccnc54)[C@H](O)[C@@H]3O)cc(F)c2cc1Cl.Nc1nc2cc(CC[C@H]3S[C@@H](n4ccc5c(N)ccnc54)[C@H](O)[C@@H]3O)ccc2cc1Br.
What is the InChIKey of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?
The InChIKey is VMUUJQWLHFIUEQ-NDSABGNJSA-N. The full InChI is InChI=1S/C24H26BrN5O2.C24H25ClFN5O2.C23H25BrN6O2.C23H26N6O2.C22H22BrN5O2S.C22H21ClFN5O2S/c1-24(7-4-13-2-3-14-11-16(25)22(27)29-18(14)10-13)12-19(20(31)21(24)32)30-9-6-15-17(26)5-8-28-23(15)30;1-24(5-2-12-8-16(26)14-10-15(25)22(28)30-18(14)9-12)11-19(20(32)21(24)33)31-7-4-13-17(27)3-6-29-23(13)31;1-23(6-4-12-2-3-13-9-16(24)21(26)29-17(13)8-12)10-14(19(31)20(23)32)15-11-28-30-18(25)5-7-27-22(15)30;1-23(8-6-13-2-3-14-4-5-18(24)28-17(14)10-13)11-15(20(30)21(23)31)16-12-27-29-19(25)7-9-26-22(16)29;23-14-10-12-3-1-11(9-16(12)27-20(14)25)2-4-17-18(29)19(30)22(31-17)28-8-6-13-15(24)5-7-26-21(13)28;23-13-9-12-14(24)7-10(8-16(12)28-20(13)26)1-2-17-18(30)19(31)22(32-17)29-6-4-11-15(25)3-5-27-21(11)29/h2-3,5-6,8-11,19-21,31-32H,4,7,12H2,1H3,(H2,26,28)(H2,27,29);3-4,6-10,19-21,32-33H,2,5,11H2,1H3,(H2,27,29)(H2,28,30);2-3,5,7-9,11,14,19-20,31-32H,4,6,10,25H2,1H3,(H2,26,29);2-5,7,9-10,12,15,20-21,30-31H,6,8,11,25H2,1H3,(H2,24,28);1,3,5-10,17-19,22,29-30H,2,4H2,(H2,24,26)(H2,25,27);3-9,17-19,22,30-31H,1-2H2,(H2,25,27)(H2,26,28)/t2*19-,20+,21+,24+;14-,19-,20-,23-;15-,20-,21-,23-;2*17-,18-,19-,22-/m110011/s1.
What are the key properties of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?
(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol has a molecular weight of 2856.64 g/mol, XLogP of 20.00, 24 rotatable bonds, 24 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(2R,3S,4R,5R)-2-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)thiolane-3,4-diol;(1S,2R,3S,5S)-5-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol is sourced from PubChem (CID 161342172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).