4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride

C184H254BBrCl5F12N35O16 — CID 167596326

About 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride

4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride (PubChem CID 167596326) has the molecular formula C184H254BBrCl5F12N35O16 and a molecular weight of 3708.24 g/mol. Its IUPAC name is 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride.

Molecular Properties

• Compound Name: 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride
• PubChem CID: 167596326
• Molecular Formula: C184H254BBrCl5F12N35O16
• Molecular Weight: 3708.24 g/mol
• Exact Mass: 3702.77
• IUPAC Name: 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C4CCC(O)CC4)c4nc(Cl)ncc34)cc2)CC1.CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.CCC(C)N.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCNCC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCNCC4)cc3)cn(C3CCC(O)CC3)c2n1.Cl.Cl.Cl.OC1CCC(n2cc(Br)c3cnc(Cl)nc32)CC1
• InChI: InChI=1S/2C32H43F3N6O3.C28H36ClN5O3.2C27H35F3N6O.C22H35BN2O4.C12H13BrClN3O.C4H11N.3ClH/c2*1-21(17-32(33,34)35)37-29-36-18-26-27(20-41(28(26)38-29)24-9-11-25(42)12-10-24)23-7-5-22(6-8-23)19-39-13-15-40(16-14-39)30(43)44-31(2,3)4;1-28(2,3)37-27(36)33-14-12-32(13-15-33)17-19-4-6-20(7-5-19)24-18-34(21-8-10-22(35)11-9-21)25-23(24)16-30-26(29)31-25;2*1-18(14-27(28,29)30)33-26-32-15-23-24(17-36(25(23)34-26)21-6-8-22(37)9-7-21)20-4-2-19(3-5-20)16-35-12-10-31-11-13-35;1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-8-10-18(11-9-17)23-28-21(4,5)22(6,7)29-23;13-10-6-17(7-1-3-8(18)4-2-7)11-9(10)5-15-12(14)16-11;1-3-4(2)5;;;/h2*5-8,18,20-21,24-25,42H,9-17,19H2,1-4H3,(H,36,37,38);4-7,16,18,21-22,35H,8-15,17H2,1-3H3;2*2-5,15,17-18,21-22,31,37H,6-14,16H2,1H3,(H,32,33,34);8-11H,12-16H2,1-7H3;5-8,18H,1-4H2;4H,3,5H2,1-2H3;3*1H/t2*21-,24?,25?;;2*18-,21?,22?;;;;;;/m10.10....../s1
• InChIKey: ORMVNXVURUASLQ-ZDXOXVRVSA-N
• XLogP: 35.88
• TPSA: 559.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3708.24
LogP ≤ 5	35.88
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride?

The IUPAC name of 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride (CID 167596326) is 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride.

What is the SMILES notation for 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride?

The canonical SMILES for 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride is CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3cn(C4CCC(O)CC4)c4nc(Cl)ncc34)cc2)CC1.CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.CCC(C)N.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCNCC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@H](CC(F)(F)F)Nc1ncc2c(-c3ccc(CN4CCNCC4)cc3)cn(C3CCC(O)CC3)c2n1.Cl.Cl.Cl.OC1CCC(n2cc(Br)c3cnc(Cl)nc32)CC1.

What is the InChIKey of 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride?

The InChIKey is ORMVNXVURUASLQ-ZDXOXVRVSA-N. The full InChI is InChI=1S/2C32H43F3N6O3.C28H36ClN5O3.2C27H35F3N6O.C22H35BN2O4.C12H13BrClN3O.C4H11N.3ClH/c2*1-21(17-32(33,34)35)37-29-36-18-26-27(20-41(28(26)38-29)24-9-11-25(42)12-10-24)23-7-5-22(6-8-23)19-39-13-15-40(16-14-39)30(43)44-31(2,3)4;1-28(2,3)37-27(36)33-14-12-32(13-15-33)17-19-4-6-20(7-5-19)24-18-34(21-8-10-22(35)11-9-21)25-23(24)16-30-26(29)31-25;2*1-18(14-27(28,29)30)33-26-32-15-23-24(17-36(25(23)34-26)21-6-8-22(37)9-7-21)20-4-2-19(3-5-20)16-35-12-10-31-11-13-35;1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-8-10-18(11-9-17)23-28-21(4,5)22(6,7)29-23;13-10-6-17(7-1-3-8(18)4-2-7)11-9(10)5-15-12(14)16-11;1-3-4(2)5;;;/h2*5-8,18,20-21,24-25,42H,9-17,19H2,1-4H3,(H,36,37,38);4-7,16,18,21-22,35H,8-15,17H2,1-3H3;2*2-5,15,17-18,21-22,31,37H,6-14,16H2,1H3,(H,32,33,34);8-11H,12-16H2,1-7H3;5-8,18H,1-4H2;4H,3,5H2,1-2H3;3*1H/t2*21-,24?,25?;;2*18-,21?,22?;;;;;;/m10.10....../s1.

What are the key properties of 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride?

4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride has a molecular weight of 3708.24 g/mol, XLogP of 35.88, 37 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol;butan-2-amine;tert-butyl 4-[[4-[2-chloro-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[5-[4-(piperazin-1-ylmethyl)phenyl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;trihydrochloride is sourced from PubChem (CID 167596326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).