Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol
C151H245BBrN25O17Si3 — CID 158578983
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACtert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol
SMILESC.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(Br)cn4COCC[Si](C)(C)C)CC2)CC1.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(C3=CCOCC3)cn4COCC[Si](C)(C)C)CC2)CC1.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(C3CCOCC3)cn4COCC[Si](C)(C)C)CC2)CC1.CC1(C)OB(C2=CCOCC2)OC1(C)C.OCn1cc(C2CCOCC2)c2c(CC3CCC(N4CCNCC4)CC3)ncnc21.c1nc(CC2CCC(N3CCNCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1
InChIInChI=1S/C33H55N5O4Si.C33H53N5O4Si.C28H46BrN5O3Si.C23H35N5O2.C22H33N5O.C11H19BO3.CH4/c2*1-33(2,3)42-32(39)37-15-13-36(14-16-37)27-9-7-25(8-10-27)21-29-30-28(26-11-17-40-18-12-26)22-38(31(30)35-23-34-29)24-41-19-20-43(4,5)6;1-28(2,3)37-27(35)33-13-11-32(12-14-33)22-9-7-21(8-10-22)17-24-25-23(29)18-34(26(25)31-19-30-24)20-36-15-16-38(4,5)6;29-16-28-14-20(18-5-11-30-12-6-18)22-21(25-15-26-23(22)28)13-17-1-3-19(4-2-17)27-9-7-24-8-10-27;1-3-18(27-9-7-23-8-10-27)4-2-16(1)13-20-21-19(17-5-11-28-12-6-17)14-24-22(21)26-15-25-20;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h22-23,25-27H,7-21,24H2,1-6H3;11,22-23,25,27H,7-10,12-21,24H2,1-6H3;18-19,21-22H,7-17,20H2,1-6H3;14-15,17-19,24,29H,1-13,16H2;14-18,23H,1-13H2,(H,24,25,26);5H,6-8H2,1-4H3;1H4
InChIKeyHTABFRHTOIUMEH-UHFFFAOYSA-N
MW2857.75 g/mol
LogP26.39
Rot. Bonds36
About Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol
Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol (PubChem CID 158578983) has the molecular formula C151H245BBrN25O17Si3 and a molecular weight of 2857.75 g/mol. Its IUPAC name is tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol.
Molecular Properties
| Compound Name | Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol |
|---|---|
| PubChem CID | 158578983 |
| Molecular Formula | C151H245BBrN25O17Si3 |
| Molecular Weight | 2857.75 g/mol |
| Exact Mass | 2854.77 |
| IUPAC Name | tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol |
| SMILES | C.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(Br)cn4COCC[Si](C)(C)C)CC2)CC1.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(C3=CCOCC3)cn4COCC[Si](C)(C)C)CC2)CC1.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(C3CCOCC3)cn4COCC[Si](C)(C)C)CC2)CC1.CC1(C)OB(C2=CCOCC2)OC1(C)C.OCn1cc(C2CCOCC2)c2c(CC3CCC(N4CCNCC4)CC3)ncnc21.c1nc(CC2CCC(N3CCNCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 |
| InChI | InChI=1S/C33H55N5O4Si.C33H53N5O4Si.C28H46BrN5O3Si.C23H35N5O2.C22H33N5O.C11H19BO3.CH4/c2*1-33(2,3)42-32(39)37-15-13-36(14-16-37)27-9-7-25(8-10-27)21-29-30-28(26-11-17-40-18-12-26)22-38(31(30)35-23-34-29)24-41-19-20-43(4,5)6;1-28(2,3)37-27(35)33-13-11-32(12-14-33)22-9-7-21(8-10-22)17-24-25-23(29)18-34(26(25)31-19-30-24)20-36-15-16-38(4,5)6;29-16-28-14-20(18-5-11-30-12-6-18)22-21(25-15-26-23(22)28)13-17-1-3-19(4-2-17)27-9-7-24-8-10-27;1-3-18(27-9-7-23-8-10-27)4-2-16(1)13-20-21-19(17-5-11-28-12-6-17)14-24-22(21)26-15-25-20;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h22-23,25-27H,7-21,24H2,1-6H3;11,22-23,25,27H,7-10,12-21,24H2,1-6H3;18-19,21-22H,7-17,20H2,1-6H3;14-15,17-19,24,29H,1-13,16H2;14-18,23H,1-13H2,(H,24,25,26);5H,6-8H2,1-4H3;1H4 |
| InChIKey | HTABFRHTOIUMEH-UHFFFAOYSA-N |
| XLogP | 26.39 |
| TPSA | 405.82 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 198 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2857.75 |
| LogP ≤ 5 | 26.39 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 38 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
The IUPAC name of Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol (CID 158578983) is tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol.
What is the SMILES notation for Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
The canonical SMILES for Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol is C.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(Br)cn4COCC[Si](C)(C)C)CC2)CC1.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(C3=CCOCC3)cn4COCC[Si](C)(C)C)CC2)CC1.CC(C)(C)OC(=O)N1CCN(C2CCC(Cc3ncnc4c3c(C3CCOCC3)cn4COCC[Si](C)(C)C)CC2)CC1.CC1(C)OB(C2=CCOCC2)OC1(C)C.OCn1cc(C2CCOCC2)c2c(CC3CCC(N4CCNCC4)CC3)ncnc21.c1nc(CC2CCC(N3CCNCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1.
What is the InChIKey of Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
The InChIKey is HTABFRHTOIUMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N5O4Si.C33H53N5O4Si.C28H46BrN5O3Si.C23H35N5O2.C22H33N5O.C11H19BO3.CH4/c2*1-33(2,3)42-32(39)37-15-13-36(14-16-37)27-9-7-25(8-10-27)21-29-30-28(26-11-17-40-18-12-26)22-38(31(30)35-23-34-29)24-41-19-20-43(4,5)6;1-28(2,3)37-27(35)33-13-11-32(12-14-33)22-9-7-21(8-10-22)17-24-25-23(29)18-34(26(25)31-19-30-24)20-36-15-16-38(4,5)6;29-16-28-14-20(18-5-11-30-12-6-18)22-21(25-15-26-23(22)28)13-17-1-3-19(4-2-17)27-9-7-24-8-10-27;1-3-18(27-9-7-23-8-10-27)4-2-16(1)13-20-21-19(17-5-11-28-12-6-17)14-24-22(21)26-15-25-20;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h22-23,25-27H,7-21,24H2,1-6H3;11,22-23,25,27H,7-10,12-21,24H2,1-6H3;18-19,21-22H,7-17,20H2,1-6H3;14-15,17-19,24,29H,1-13,16H2;14-18,23H,1-13H2,(H,24,25,26);5H,6-8H2,1-4H3;1H4.
What are the key properties of Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol?
Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol has a molecular weight of 2857.75 g/mol, XLogP of 26.39, 36 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-[4-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(3,6-dihydro-2H-pyran-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;tert-butyl 4-[4-[[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexyl]piperazine-1-carboxylate;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine;[5-(oxan-4-yl)-4-[(4-piperazin-1-ylcyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methanol is sourced from PubChem (CID 158578983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158578983 — identifiers, structure, computed properties (public domain)
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