(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide

C133H158Cl6F12N34O16S3 — CID 160946831

About (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide

(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide (PubChem CID 160946831) has the molecular formula C133H158Cl6F12N34O16S3 and a molecular weight of 3025.84 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide.

Molecular Properties

• Compound Name: (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide
• PubChem CID: 160946831
• Molecular Formula: C133H158Cl6F12N34O16S3
• Molecular Weight: 3025.84 g/mol
• Exact Mass: 3020.97
• IUPAC Name: (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide
• SMILES: CC(C)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CS(=O)(=O)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CS(=O)(=O)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O.CS(=O)(=O)N(CCCCc1nc2cc(Cl)c(Cl)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(CC4CC4)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C28H34Cl2N6O4S.C28H33ClF3N7O4S.C27H33ClF3N7O2.C25H29ClF3N7O4S.C25H29ClF3N7O2/c1-41(39,40)35(8-3-2-4-25-33-22-12-19(29)20(30)13-23(22)34-25)14-17-11-24(27(38)26(17)37)36-9-7-18-21(10-16-5-6-16)31-15-32-28(18)36;1-44(42,43)38(8-3-2-4-23-36-20-11-18(28(30,31)32)19(29)12-21(20)37-23)13-15-10-22(25(41)24(15)40)39-9-7-17-26(35-16-5-6-16)33-14-34-27(17)39;1-14(2)37(7-4-3-5-22-35-19-10-17(27(29,30)31)18(28)11-20(19)36-22)12-15-9-21(24(40)23(15)39)38-8-6-16-25(32)33-13-34-26(16)38;1-41(39,40)35(6-3-2-4-20-33-17-9-15(25(27,28)29)16(26)10-18(17)34-20)11-13-8-19(22(38)21(13)37)36-7-5-14-23(30)31-12-32-24(14)36;1-35(6-3-2-4-20-33-17-9-15(25(27,28)29)16(26)10-18(17)34-20)11-13-8-19(22(38)21(13)37)36-7-5-14-23(30)31-12-32-24(14)36/h7,9,12-13,15-17,24,26-27,37-38H,2-6,8,10-11,14H2,1H3,(H,33,34);7,9,11-12,14-16,22,24-25,40-41H,2-6,8,10,13H2,1H3,(H,36,37)(H,33,34,35);6,8,10-11,13-15,21,23-24,39-40H,3-5,7,9,12H2,1-2H3,(H,35,36)(H2,32,33,34);5,7,9-10,12-13,19,21-22,37-38H,2-4,6,8,11H2,1H3,(H,33,34)(H2,30,31,32);5,7,9-10,12-13,19,21-22,37-38H,2-4,6,8,11H2,1H3,(H,33,34)(H2,30,31,32)/t17-,24-,26-,27+;15-,22-,24-,25+;15-,21-,23-,24+;2*13-,19-,21-,22+/m11111/s1
• InChIKey: SVFPOCABWHDWJQ-UTBYWCNCSA-N
• XLogP: 19.76
• TPSA: 707.96 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 42
• Rotatable Bonds: 48
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3025.84
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide?

The IUPAC name of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide (CID 160946831) is (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide.

What is the SMILES notation for (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide?

The canonical SMILES for (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide is CC(C)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CN(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CS(=O)(=O)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O.CS(=O)(=O)N(CCCCc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O.CS(=O)(=O)N(CCCCc1nc2cc(Cl)c(Cl)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(CC4CC4)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide?

The InChIKey is SVFPOCABWHDWJQ-UTBYWCNCSA-N. The full InChI is InChI=1S/C28H34Cl2N6O4S.C28H33ClF3N7O4S.C27H33ClF3N7O2.C25H29ClF3N7O4S.C25H29ClF3N7O2/c1-41(39,40)35(8-3-2-4-25-33-22-12-19(29)20(30)13-23(22)34-25)14-17-11-24(27(38)26(17)37)36-9-7-18-21(10-16-5-6-16)31-15-32-28(18)36;1-44(42,43)38(8-3-2-4-23-36-20-11-18(28(30,31)32)19(29)12-21(20)37-23)13-15-10-22(25(41)24(15)40)39-9-7-17-26(35-16-5-6-16)33-14-34-27(17)39;1-14(2)37(7-4-3-5-22-35-19-10-17(27(29,30)31)18(28)11-20(19)36-22)12-15-9-21(24(40)23(15)39)38-8-6-16-25(32)33-13-34-26(16)38;1-41(39,40)35(6-3-2-4-20-33-17-9-15(25(27,28)29)16(26)10-18(17)34-20)11-13-8-19(22(38)21(13)37)36-7-5-14-23(30)31-12-32-24(14)36;1-35(6-3-2-4-20-33-17-9-15(25(27,28)29)16(26)10-18(17)34-20)11-13-8-19(22(38)21(13)37)36-7-5-14-23(30)31-12-32-24(14)36/h7,9,12-13,15-17,24,26-27,37-38H,2-6,8,10-11,14H2,1H3,(H,33,34);7,9,11-12,14-16,22,24-25,40-41H,2-6,8,10,13H2,1H3,(H,36,37)(H,33,34,35);6,8,10-11,13-15,21,23-24,39-40H,3-5,7,9,12H2,1-2H3,(H,35,36)(H2,32,33,34);5,7,9-10,12-13,19,21-22,37-38H,2-4,6,8,11H2,1H3,(H,33,34)(H2,30,31,32);5,7,9-10,12-13,19,21-22,37-38H,2-4,6,8,11H2,1H3,(H,33,34)(H2,30,31,32)/t17-,24-,26-,27+;15-,22-,24-,25+;15-,21-,23-,24+;2*13-,19-,21-,22+/m11111/s1.

What are the key properties of (1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide?

(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide has a molecular weight of 3025.84 g/mol, XLogP of 19.76, 48 rotatable bonds, 19 hydrogen bond donors, and 42 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-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-methylamino]methyl]cyclopentane-1,2-diol;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]cyclopentane-1,2-diol;N-[[(1R,2R,3S,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl]-N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]methanesulfonamide;N-[4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]methanesulfonamide;N-[[(1R,2R,3S,4R)-4-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroxycyclopentyl]methyl]-N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)butyl]methanesulfonamide is sourced from PubChem (CID 160946831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).