(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol

C259H278Br6Cl3F4N55O21 — CID 161225819

About (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol

(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol (PubChem CID 161225819) has the molecular formula C259H278Br6Cl3F4N55O21 and a molecular weight of 5159.21 g/mol. Its IUPAC name is (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol.

Molecular Properties

• Compound Name: (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol
• PubChem CID: 161225819
• Molecular Formula: C259H278Br6Cl3F4N55O21
• Molecular Weight: 5159.21 g/mol
• Exact Mass: 5148.65
• IUPAC Name: (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol
• SMILES: C[C@]1(CCc2ccc3cc(Br)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](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@]1(C)O.C[C@]1(CCc2ccc3cc(C4CC4)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3cc(Cl)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc2ccc(CC[C@@]3(C)C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2nc1N.Nc1ccnc2c1ccn2[C@@H]1C[C@](F)(C(O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O.Nc1nc2cc(CC[C@@]3(F)C[C@@H](n4ccc5c(N)ccnc54)[C@H](O)[C@@H]3O)ccc2cc1Br.Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ccnc54)[C@H](F)[C@@H]3O)ccc2cc1Br.Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ccnc54)[C@H](O)[C@@H]3F)ccc2cc1Br
• InChI: InChI=1S/C27H31N5O2.C25H28BrN5O2.2C24H26BrN5O2.C24H26ClN5O2.C24H28N6O2.C23H23BrFN5O2.2C23H23BrFN5O.C23H26N6O2.C19H18Cl2FN3O3/c1-27(9-6-15-2-3-17-13-19(16-4-5-16)25(29)31-21(17)12-15)14-22(23(33)24(27)34)32-11-8-18-20(28)7-10-30-26(18)32;1-24(8-5-14-3-4-15-12-17(26)22(28)30-19(15)11-14)13-20(21(32)25(24,2)33)31-10-7-16-18(27)6-9-29-23(16)31;3*1-24(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;1-13-9-15-4-3-14(10-17(15)29-21(13)25)5-7-24(2)11-18(19(31)20(24)32)30-8-6-16-22(26)27-12-28-23(16)30;24-15-10-13-2-1-12(9-17(13)29-21(15)27)3-6-23(25)11-18(19(31)20(23)32)30-8-5-14-16(26)4-7-28-22(14)30;24-16-10-13-3-1-12(9-18(13)29-22(16)27)2-4-14-11-19(20(25)21(14)31)30-8-6-15-17(26)5-7-28-23(15)30;24-16-10-13-3-1-12(9-18(13)29-22(16)27)2-4-14-11-19(21(31)20(14)25)30-8-6-15-17(26)5-7-28-23(15)30;1-23(8-6-13-2-3-14-4-5-18(24)28-16(14)10-13)11-17(19(30)20(23)31)29-9-7-15-21(25)26-12-27-22(15)29;20-11-2-1-9(7-12(11)21)16(27)19(22)8-14(15(26)17(19)28)25-6-4-10-13(23)3-5-24-18(10)25/h2-3,7-8,10-13,16,22-24,33-34H,4-6,9,14H2,1H3,(H2,28,30)(H2,29,31);3-4,6-7,9-12,20-21,32-33H,5,8,13H2,1-2H3,(H2,27,29)(H2,28,30);3*2-3,5-6,8-11,19-21,31-32H,4,7,12H2,1H3,(H2,26,28)(H2,27,29);3-4,6,8-10,12,18-20,31-32H,5,7,11H2,1-2H3,(H2,25,29)(H2,26,27,28);1-2,4-5,7-10,18-20,31-32H,3,6,11H2,(H2,26,28)(H2,27,29);2*1,3,5-10,14,19-21,31H,2,4,11H2,(H2,26,28)(H2,27,29);2-5,7,9-10,12,17,19-20,30-31H,6,8,11H2,1H3,(H2,24,28)(H2,25,26,27);1-7,14-17,26-28H,8H2,(H2,23,24)/t22-,23+,24+,27+;20-,21+,24+,25+;3*19-,20+,21+,24+;18-,19+,20+,24+;18-,19+,20+,23-;14-,19+,20-,21+;14-,19+,20+,21-;17-,19+,20+,23+;14-,15+,16?,17+,19+/m11111110011/s1
• InChIKey: UYCLCASVEFWXSY-BIFSLPNKSA-N
• XLogP: 40.05
• TPSA: 1321.95 Ų
• H-Bond Donors: 42
• H-Bond Acceptors: 76
• Rotatable Bonds: 44
• Heavy Atoms: 348
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5159.21
LogP ≤ 5	40.05
H-Bond Donors ≤ 5	42
H-Bond Acceptors ≤ 10	76

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?

The IUPAC name of (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol (CID 161225819) is (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol.

What is the SMILES notation for (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?

The canonical SMILES for (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol is C[C@]1(CCc2ccc3cc(Br)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](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@]1(C)O.C[C@]1(CCc2ccc3cc(C4CC4)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3cc(Cl)c(N)nc3c2)C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc2ccc(CC[C@@]3(C)C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2nc1N.Nc1ccnc2c1ccn2[C@@H]1C[C@](F)(C(O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O.Nc1nc2cc(CC[C@@]3(F)C[C@@H](n4ccc5c(N)ccnc54)[C@H](O)[C@@H]3O)ccc2cc1Br.Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ccnc54)[C@H](F)[C@@H]3O)ccc2cc1Br.Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ccnc54)[C@H](O)[C@@H]3F)ccc2cc1Br.

What is the InChIKey of (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?

The InChIKey is UYCLCASVEFWXSY-BIFSLPNKSA-N. The full InChI is InChI=1S/C27H31N5O2.C25H28BrN5O2.2C24H26BrN5O2.C24H26ClN5O2.C24H28N6O2.C23H23BrFN5O2.2C23H23BrFN5O.C23H26N6O2.C19H18Cl2FN3O3/c1-27(9-6-15-2-3-17-13-19(16-4-5-16)25(29)31-21(17)12-15)14-22(23(33)24(27)34)32-11-8-18-20(28)7-10-30-26(18)32;1-24(8-5-14-3-4-15-12-17(26)22(28)30-19(15)11-14)13-20(21(32)25(24,2)33)31-10-7-16-18(27)6-9-29-23(16)31;3*1-24(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;1-13-9-15-4-3-14(10-17(15)29-21(13)25)5-7-24(2)11-18(19(31)20(24)32)30-8-6-16-22(26)27-12-28-23(16)30;24-15-10-13-2-1-12(9-17(13)29-21(15)27)3-6-23(25)11-18(19(31)20(23)32)30-8-5-14-16(26)4-7-28-22(14)30;24-16-10-13-3-1-12(9-18(13)29-22(16)27)2-4-14-11-19(20(25)21(14)31)30-8-6-15-17(26)5-7-28-23(15)30;24-16-10-13-3-1-12(9-18(13)29-22(16)27)2-4-14-11-19(21(31)20(14)25)30-8-6-15-17(26)5-7-28-23(15)30;1-23(8-6-13-2-3-14-4-5-18(24)28-16(14)10-13)11-17(19(30)20(23)31)29-9-7-15-21(25)26-12-27-22(15)29;20-11-2-1-9(7-12(11)21)16(27)19(22)8-14(15(26)17(19)28)25-6-4-10-13(23)3-5-24-18(10)25/h2-3,7-8,10-13,16,22-24,33-34H,4-6,9,14H2,1H3,(H2,28,30)(H2,29,31);3-4,6-7,9-12,20-21,32-33H,5,8,13H2,1-2H3,(H2,27,29)(H2,28,30);3*2-3,5-6,8-11,19-21,31-32H,4,7,12H2,1H3,(H2,26,28)(H2,27,29);3-4,6,8-10,12,18-20,31-32H,5,7,11H2,1-2H3,(H2,25,29)(H2,26,27,28);1-2,4-5,7-10,18-20,31-32H,3,6,11H2,(H2,26,28)(H2,27,29);2*1,3,5-10,14,19-21,31H,2,4,11H2,(H2,26,28)(H2,27,29);2-5,7,9-10,12,17,19-20,30-31H,6,8,11H2,1H3,(H2,24,28)(H2,25,26,27);1-7,14-17,26-28H,8H2,(H2,23,24)/t22-,23+,24+,27+;20-,21+,24+,25+;3*19-,20+,21+,24+;18-,19+,20+,24+;18-,19+,20+,23-;14-,19+,20-,21+;14-,19+,20+,21-;17-,19+,20+,23+;14-,15+,16?,17+,19+/m11111110011/s1.

What are the key properties of (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol?

(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol has a molecular weight of 5159.21 g/mol, XLogP of 40.05, 44 rotatable bonds, 42 hydrogen bond donors, and 76 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-1,5-dimethylcyclopentane-1,2-diol;(1S,2S,3R,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-fluorocyclopentane-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)-2-fluorocyclopentan-1-ol;(1R,2S,3R,5S)-5-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-3-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-2-fluorocyclopentan-1-ol;bis((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);(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-cyclopropylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-methylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-methylquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methylcyclopentane-1,2-diol;(1S,2S,3S,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-[(3,4-dichlorophenyl)-hydroxymethyl]-3-fluorocyclopentane-1,2-diol;(1S,2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-(2-aminoquinolin-7-yl)ethyl]-3-methylcyclopentane-1,2-diol is sourced from PubChem (CID 161225819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).