(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol

C176H223Cl3F12N42O11 — CID 157184929

IUPAC(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol
SMILESCC(C)N(CC1CC(Cc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)N(CC1CC(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)N(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1.CC(C)N(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1.CN(CC1CC(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(C[C@@H]1C[C@@H](O)[C@H](n2ccc3c(N)ncnc32)C1)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1
InChIInChI=1S/2C32H45N7O2.2C29H35ClF3N7O2.C27H31ClF3N7O.C27H32F3N7O2/c1-18(2)39(16-20-14-26(29(41)28(20)40)38-11-10-23-30(33)34-17-35-31(23)38)22-12-19(13-22)6-9-27-36-24-8-7-21(32(3,4)5)15-25(24)37-27;1-18(2)38(16-21-13-26(29(41)28(21)40)39-9-8-23-30(33)34-17-35-31(23)39)15-20-10-19(11-20)12-27-36-24-7-6-22(32(3,4)5)14-25(24)37-27;1-14(2)39(12-17-8-23(26(42)25(17)41)40-4-3-18-27(34)35-13-36-28(18)40)11-16-5-15(6-16)7-24-37-21-9-19(29(31,32)33)20(30)10-22(21)38-24;1-14(2)40(12-16-9-23(26(42)25(16)41)39-6-5-18-27(34)35-13-36-28(18)39)17-7-15(8-17)3-4-24-37-21-10-19(29(31,32)33)20(30)11-22(21)38-24;1-37(12-15-8-22(23(39)9-15)38-5-4-17-25(32)33-13-34-26(17)38)16-6-14(7-16)2-3-24-35-20-10-18(27(29,30)31)19(28)11-21(20)36-24;1-36(12-16-9-21(24(39)23(16)38)37-5-4-18-25(31)32-13-33-26(18)37)11-15-6-14(7-15)8-22-34-19-3-2-17(27(28,29)30)10-20(19)35-22/h7-8,10-11,15,17-20,22,26,28-29,40-41H,6,9,12-14,16H2,1-5H3,(H,36,37)(H2,33,34,35);6-9,14,17-21,26,28-29,40-41H,10-13,15-16H2,1-5H3,(H,36,37)(H2,33,34,35);3-4,9-10,13-17,23,25-26,41-42H,5-8,11-12H2,1-2H3,(H,37,38)(H2,34,35,36);5-6,10-11,13-17,23,25-26,41-42H,3-4,7-9,12H2,1-2H3,(H,37,38)(H2,34,35,36);4-5,10-11,13-16,22-23,39H,2-3,6-9,12H2,1H3,(H,35,36)(H2,32,33,34);2-5,10,13-16,21,23-24,38-39H,6-9,11-12H2,1H3,(H,34,35)(H2,31,32,33)/t19?,20-,22?,26-,28-,29+;19?,20?,21-,26-,28-,29+;15?,16?,17-,23-,25-,26+;15?,16-,17?,23-,25-,26+;14?,15-,16?,22+,23+;14?,15?,16-,21-,23-,24+/m111101/s1
InChIKeyAOZWWKOOXOHGMI-CKGUEGFCSA-N
MW3437.34 g/mol
LogP27.44
Rot. Bonds46

About (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol (PubChem CID 157184929) has the molecular formula C176H223Cl3F12N42O11 and a molecular weight of 3437.34 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol
PubChem CID157184929
Molecular FormulaC176H223Cl3F12N42O11
Molecular Weight3437.34 g/mol
Exact Mass3433.71
IUPAC Name(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol
SMILESCC(C)N(CC1CC(Cc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)N(CC1CC(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)N(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1.CC(C)N(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1.CN(CC1CC(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(C[C@@H]1C[C@@H](O)[C@H](n2ccc3c(N)ncnc32)C1)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1
InChIInChI=1S/2C32H45N7O2.2C29H35ClF3N7O2.C27H31ClF3N7O.C27H32F3N7O2/c1-18(2)39(16-20-14-26(29(41)28(20)40)38-11-10-23-30(33)34-17-35-31(23)38)22-12-19(13-22)6-9-27-36-24-8-7-21(32(3,4)5)15-25(24)37-27;1-18(2)38(16-21-13-26(29(41)28(21)40)39-9-8-23-30(33)34-17-35-31(23)39)15-20-10-19(11-20)12-27-36-24-7-6-22(32(3,4)5)14-25(24)37-27;1-14(2)39(12-17-8-23(26(42)25(17)41)40-4-3-18-27(34)35-13-36-28(18)40)11-16-5-15(6-16)7-24-37-21-9-19(29(31,32)33)20(30)10-22(21)38-24;1-14(2)40(12-16-9-23(26(42)25(16)41)39-6-5-18-27(34)35-13-36-28(18)39)17-7-15(8-17)3-4-24-37-21-10-19(29(31,32)33)20(30)11-22(21)38-24;1-37(12-15-8-22(23(39)9-15)38-5-4-17-25(32)33-13-34-26(17)38)16-6-14(7-16)2-3-24-35-20-10-18(27(29,30)31)19(28)11-21(20)36-24;1-36(12-16-9-21(24(39)23(16)38)37-5-4-18-25(31)32-13-33-26(18)37)11-15-6-14(7-15)8-22-34-19-3-2-17(27(28,29)30)10-20(19)35-22/h7-8,10-11,15,17-20,22,26,28-29,40-41H,6,9,12-14,16H2,1-5H3,(H,36,37)(H2,33,34,35);6-9,14,17-21,26,28-29,40-41H,10-13,15-16H2,1-5H3,(H,36,37)(H2,33,34,35);3-4,9-10,13-17,23,25-26,41-42H,5-8,11-12H2,1-2H3,(H,37,38)(H2,34,35,36);5-6,10-11,13-17,23,25-26,41-42H,3-4,7-9,12H2,1-2H3,(H,37,38)(H2,34,35,36);4-5,10-11,13-16,22-23,39H,2-3,6-9,12H2,1H3,(H,35,36)(H2,32,33,34);2-5,10,13-16,21,23-24,38-39H,6-9,11-12H2,1H3,(H,34,35)(H2,31,32,33)/t19?,20-,22?,26-,28-,29+;19?,20?,21-,26-,28-,29+;15?,16?,17-,23-,25-,26+;15?,16-,17?,23-,25-,26+;14?,15-,16?,22+,23+;14?,15?,16-,21-,23-,24+/m111101/s1
InChIKeyAOZWWKOOXOHGMI-CKGUEGFCSA-N
XLogP27.44
TPSA754.43 Ų
H-Bond Donors23
H-Bond Acceptors47
Rotatable Bonds46
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003437.34
LogP ≤ 527.44
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1047

Analyze (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol with MolForge

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Related Compounds

(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[2-[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]propan-2-ylamino]methyl]cyclopentane-1,2-diol
CID 67776497
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[1-[[(1S,3R,4R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxycyclopentyl]methyl-[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]ethoxy]-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-ol
CID 89510022
2-(6-aminopurin-9-yl)-4-[1-[[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxycyclopentyl]methyl-[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]ethoxy]-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-ol
CID 123400701
CID 157090512
CID 157090512
bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol);(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentan-1-ol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(1,1-difluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol
CID 157156432
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-3H-indol-2-yl)ethyl]cyclobutyl]-ethylamino]methyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol);(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(1,1-difluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
CID 157315086
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-ethylamino]methyl]oxolane-3,4-diol;bis((1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1,2-diol)
CID 157316957
CID 157337738
CID 157337738
CID 157348381
CID 157348381
(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(cyclobutylmethyl)amino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[6-(1,1-difluoroethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol
CID 157404823
CID 157464813
CID 157464813
1-[3-[[(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]-5-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]-5-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentane-1,2-diol
CID 157591757

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol (CID 157184929) is (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol is CC(C)N(CC1CC(Cc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)N(CC1CC(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CC(C)N(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1.CC(C)N(C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1.CN(CC1CC(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)C1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(C[C@@H]1C[C@@H](O)[C@H](n2ccc3c(N)ncnc32)C1)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1.
What is the InChIKey of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol?
The InChIKey is AOZWWKOOXOHGMI-CKGUEGFCSA-N. The full InChI is InChI=1S/2C32H45N7O2.2C29H35ClF3N7O2.C27H31ClF3N7O.C27H32F3N7O2/c1-18(2)39(16-20-14-26(29(41)28(20)40)38-11-10-23-30(33)34-17-35-31(23)38)22-12-19(13-22)6-9-27-36-24-8-7-21(32(3,4)5)15-25(24)37-27;1-18(2)38(16-21-13-26(29(41)28(21)40)39-9-8-23-30(33)34-17-35-31(23)39)15-20-10-19(11-20)12-27-36-24-7-6-22(32(3,4)5)14-25(24)37-27;1-14(2)39(12-17-8-23(26(42)25(17)41)40-4-3-18-27(34)35-13-36-28(18)40)11-16-5-15(6-16)7-24-37-21-9-19(29(31,32)33)20(30)10-22(21)38-24;1-14(2)40(12-16-9-23(26(42)25(16)41)39-6-5-18-27(34)35-13-36-28(18)39)17-7-15(8-17)3-4-24-37-21-10-19(29(31,32)33)20(30)11-22(21)38-24;1-37(12-15-8-22(23(39)9-15)38-5-4-17-25(32)33-13-34-26(17)38)16-6-14(7-16)2-3-24-35-20-10-18(27(29,30)31)19(28)11-21(20)36-24;1-36(12-16-9-21(24(39)23(16)38)37-5-4-18-25(31)32-13-33-26(18)37)11-15-6-14(7-15)8-22-34-19-3-2-17(27(28,29)30)10-20(19)35-22/h7-8,10-11,15,17-20,22,26,28-29,40-41H,6,9,12-14,16H2,1-5H3,(H,36,37)(H2,33,34,35);6-9,14,17-21,26,28-29,40-41H,10-13,15-16H2,1-5H3,(H,36,37)(H2,33,34,35);3-4,9-10,13-17,23,25-26,41-42H,5-8,11-12H2,1-2H3,(H,37,38)(H2,34,35,36);5-6,10-11,13-17,23,25-26,41-42H,3-4,7-9,12H2,1-2H3,(H,37,38)(H2,34,35,36);4-5,10-11,13-16,22-23,39H,2-3,6-9,12H2,1H3,(H,35,36)(H2,32,33,34);2-5,10,13-16,21,23-24,38-39H,6-9,11-12H2,1H3,(H,34,35)(H2,31,32,33)/t19?,20-,22?,26-,28-,29+;19?,20?,21-,26-,28-,29+;15?,16?,17-,23-,25-,26+;15?,16-,17?,23-,25-,26+;14?,15-,16?,22+,23+;14?,15?,16-,21-,23-,24+/m111101/s1.
What are the key properties of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol has a molecular weight of 3437.34 g/mol, XLogP of 27.44, 46 rotatable bonds, 23 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]cyclobutyl]methyl]amino]methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 157184929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).