1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol

C138H173Cl2F6N33O13 — CID 158950243

About 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol

1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol (PubChem CID 158950243) has the molecular formula C138H173Cl2F6N33O13 and a molecular weight of 2687.01 g/mol. Its IUPAC name is 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol.

Molecular Properties

• Compound Name: 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol
• PubChem CID: 158950243
• Molecular Formula: C138H173Cl2F6N33O13
• Molecular Weight: 2687.01 g/mol
• Exact Mass: 2684.32
• IUPAC Name: 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol
• SMILES: CN(CC1O[C@@H](n2ccc3c(N)nccc32)[C@H](O)[C@@H]1O)C1CC(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1.CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(NC(=O)Nc2ccc(C(C)(C)C)cc2)C1.Cc1cc2[nH]c(CCC3CC(N(C)CC4C[C@@H](n5ccc6c(N)ncnc65)[C@H](O)[C@@H]4O)C3)nc2cc1Cl.Cc1ncnc2c1ccn2[C@@H]1C[C@H](CN(C)C2CC(CCc3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)C2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1C[C@H](CN(C)C2CC(CCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C29H38N6O3.C28H32ClF3N6O2.C28H33F3N6O2.C27H34ClN7O2.C26H36N8O4/c1-29(2,3)17-5-6-20-21(14-17)33-24(32-20)13-16-11-18(12-16)34(4)15-23-25(36)26(37)28(38-23)35-10-8-19-22(35)7-9-31-27(19)30;1-14-18-5-6-38(27(18)34-13-33-14)23-9-16(25(39)26(23)40)12-37(2)17-7-15(8-17)3-4-24-35-21-10-19(28(30,31)32)20(29)11-22(21)36-24;1-15-20-7-8-37(27(20)33-14-32-15)23-11-17(25(38)26(23)39)13-36(2)19-9-16(10-19)3-6-24-34-21-5-4-18(28(29,30)31)12-22(21)35-24;1-14-7-20-21(11-19(14)28)33-23(32-20)4-3-15-8-17(9-15)34(2)12-16-10-22(25(37)24(16)36)35-6-5-18-26(29)30-13-31-27(18)35;1-26(2,3)14-5-7-15(8-6-14)31-25(37)32-16-9-17(10-16)33(4)11-18-20(35)21(36)24(38-18)34-13-30-19-22(27)28-12-29-23(19)34/h5-10,14,16,18,23,25-26,28,36-37H,11-13,15H2,1-4H3,(H2,30,31)(H,32,33);5-6,10-11,13,15-17,23,25-26,39-40H,3-4,7-9,12H2,1-2H3,(H,35,36);4-5,7-8,12,14,16-17,19,23,25-26,38-39H,3,6,9-11,13H2,1-2H3,(H,34,35);5-7,11,13,15-17,22,24-25,36-37H,3-4,8-10,12H2,1-2H3,(H,32,33)(H2,29,30,31);5-8,12-13,16-18,20-21,24,35-36H,9-11H2,1-4H3,(H2,27,28,29)(H2,31,32,37)/t16?,18?,23?,25-,26-,28-;15?,16-,17?,23-,25-,26+;16?,17-,19?,23-,25-,26+;15?,16?,17?,22-,24-,25+;16?,17?,18-,20-,21-,24-/m11111/s1
• InChIKey: JLIDNNWQUUZWSZ-RMIAUTEESA-N
• XLogP: 17.63
• TPSA: 624.42 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2687.01
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol?

The IUPAC name of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol (CID 158950243) is 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol.

What is the SMILES notation for 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol?

The canonical SMILES for 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol is CN(CC1O[C@@H](n2ccc3c(N)nccc32)[C@H](O)[C@@H]1O)C1CC(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1.CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(NC(=O)Nc2ccc(C(C)(C)C)cc2)C1.Cc1cc2[nH]c(CCC3CC(N(C)CC4C[C@@H](n5ccc6c(N)ncnc65)[C@H](O)[C@@H]4O)C3)nc2cc1Cl.Cc1ncnc2c1ccn2[C@@H]1C[C@H](CN(C)C2CC(CCc3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)C2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1C[C@H](CN(C)C2CC(CCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)[C@@H](O)[C@H]1O.

What is the InChIKey of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol?

The InChIKey is JLIDNNWQUUZWSZ-RMIAUTEESA-N. The full InChI is InChI=1S/C29H38N6O3.C28H32ClF3N6O2.C28H33F3N6O2.C27H34ClN7O2.C26H36N8O4/c1-29(2,3)17-5-6-20-21(14-17)33-24(32-20)13-16-11-18(12-16)34(4)15-23-25(36)26(37)28(38-23)35-10-8-19-22(35)7-9-31-27(19)30;1-14-18-5-6-38(27(18)34-13-33-14)23-9-16(25(39)26(23)40)12-37(2)17-7-15(8-17)3-4-24-35-21-10-19(28(30,31)32)20(29)11-22(21)36-24;1-15-20-7-8-37(27(20)33-14-32-15)23-11-17(25(38)26(23)39)13-36(2)19-9-16(10-19)3-6-24-34-21-5-4-18(28(29,30)31)12-22(21)35-24;1-14-7-20-21(11-19(14)28)33-23(32-20)4-3-15-8-17(9-15)34(2)12-16-10-22(25(37)24(16)36)35-6-5-18-26(29)30-13-31-27(18)35;1-26(2,3)14-5-7-15(8-6-14)31-25(37)32-16-9-17(10-16)33(4)11-18-20(35)21(36)24(38-18)34-13-30-19-22(27)28-12-29-23(19)34/h5-10,14,16,18,23,25-26,28,36-37H,11-13,15H2,1-4H3,(H2,30,31)(H,32,33);5-6,10-11,13,15-17,23,25-26,39-40H,3-4,7-9,12H2,1-2H3,(H,35,36);4-5,7-8,12,14,16-17,19,23,25-26,38-39H,3,6,9-11,13H2,1-2H3,(H,34,35);5-7,11,13,15-17,22,24-25,36-37H,3-4,8-10,12H2,1-2H3,(H,32,33)(H2,29,30,31);5-8,12-13,16-18,20-21,24,35-36H,9-11H2,1-4H3,(H2,27,28,29)(H2,31,32,37)/t16?,18?,23?,25-,26-,28-;15?,16-,17?,23-,25-,26+;16?,17-,19?,23-,25-,26+;15?,16?,17?,22-,24-,25+;16?,17?,18-,20-,21-,24-/m11111/s1.

What are the key properties of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol?

1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol has a molecular weight of 2687.01 g/mol, XLogP of 17.63, 33 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S)-2-(4-aminopyrrolo[3,2-c]pyridin-1-yl)-5-[[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(1R,2S,3R)-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;(1S,2R,3R,5R)-3-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[[methyl-[3-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 158950243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).