1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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

C147H197Cl2F6N33O11 — CID 158457571

About 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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

1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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 (PubChem CID 158457571) has the molecular formula C147H197Cl2F6N33O11 and a molecular weight of 2787.31 g/mol. Its IUPAC name is 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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.

Molecular Properties

• Compound Name: 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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
• PubChem CID: 158457571
• Molecular Formula: C147H197Cl2F6N33O11
• Molecular Weight: 2787.31 g/mol
• Exact Mass: 2784.52
• IUPAC Name: 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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
• SMILES: CC(C)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.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@@H]1C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(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.CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1C[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/2C31H44N6O2.C30H37ClF3N7O2.C28H33ClF3N7O2.C27H39N7O3/c2*1-19(2)36(14-7-6-8-27-34-24-10-9-21(31(3,4)5)17-25(24)35-27)18-20-16-26(29(39)28(20)38)37-15-12-22-23(32)11-13-33-30(22)37;1-16(2)40(9-4-3-5-25-38-22-12-20(30(32,33)34)21(31)13-23(22)39-25)14-17-11-24(27(43)26(17)42)41-10-8-19-28(37-18-6-7-18)35-15-36-29(19)41;1-38(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;1-27(2,3)18-6-8-19(9-7-18)32-26(37)30-11-5-13-33(4)15-17-14-21(24(36)23(17)35)34-16-31-22-20(28)10-12-29-25(22)34/h2*9-13,15,17,19-20,26,28-29,38-39H,6-8,14,16,18H2,1-5H3,(H2,32,33)(H,34,35);8,10,12-13,15-18,24,26-27,42-43H,3-7,9,11,14H2,1-2H3,(H,38,39)(H,35,36,37);7,9,11-12,14-16,22,24-25,40-41H,2-6,8,10,13H2,1H3,(H,36,37)(H,33,34,35);6-10,12,16-17,21,23-24,35-36H,5,11,13-15H2,1-4H3,(H2,28,29)(H2,30,32,37)/t20-,26+,28+,29-;20-,26-,28-,29+;17-,24-,26-,27+;15-,22-,24-,25+;17-,21+,23+,24-/m01110/s1
• InChIKey: HETLKDJCCBFWIX-RLPAKLJOSA-N
• XLogP: 22.72
• TPSA: 604.24 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 38
• Rotatable Bonds: 47
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.31
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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?

The IUPAC name of 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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 158457571) is 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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.

What is the SMILES notation for 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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?

The canonical SMILES for 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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 is CC(C)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.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@@H]1C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1C[C@@H](n2ccc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(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.CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1C[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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?

The InChIKey is HETLKDJCCBFWIX-RLPAKLJOSA-N. The full InChI is InChI=1S/2C31H44N6O2.C30H37ClF3N7O2.C28H33ClF3N7O2.C27H39N7O3/c2*1-19(2)36(14-7-6-8-27-34-24-10-9-21(31(3,4)5)17-25(24)35-27)18-20-16-26(29(39)28(20)38)37-15-12-22-23(32)11-13-33-30(22)37;1-16(2)40(9-4-3-5-25-38-22-12-20(30(32,33)34)21(31)13-23(22)39-25)14-17-11-24(27(43)26(17)42)41-10-8-19-28(37-18-6-7-18)35-15-36-29(19)41;1-38(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;1-27(2,3)18-6-8-19(9-7-18)32-26(37)30-11-5-13-33(4)15-17-14-21(24(36)23(17)35)34-16-31-22-20(28)10-12-29-25(22)34/h2*9-13,15,17,19-20,26,28-29,38-39H,6-8,14,16,18H2,1-5H3,(H2,32,33)(H,34,35);8,10,12-13,15-18,24,26-27,42-43H,3-7,9,11,14H2,1-2H3,(H,38,39)(H,35,36,37);7,9,11-12,14-16,22,24-25,40-41H,2-6,8,10,13H2,1H3,(H,36,37)(H,33,34,35);6-10,12,16-17,21,23-24,35-36H,5,11,13-15H2,1-4H3,(H2,28,29)(H2,30,32,37)/t20-,26+,28+,29-;20-,26-,28-,29+;17-,24-,26-,27+;15-,22-,24-,25+;17-,21+,23+,24-/m01110/s1.

What are the key properties of 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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?

1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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 has a molecular weight of 2787.31 g/mol, XLogP of 22.72, 47 rotatable bonds, 21 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[(1S,2R,3S,4R)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-b]pyridin-1-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-b]pyridin-1-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 is sourced from PubChem (CID 158457571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).