5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C68H97BBrCl10N19O5Si3 — CID 159371923

About 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159371923) has the molecular formula C68H97BBrCl10N19O5Si3 and a molecular weight of 1790.16 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159371923
• Molecular Formula: C68H97BBrCl10N19O5Si3
• Molecular Weight: 1790.16 g/mol
• Exact Mass: 1783.34
• IUPAC Name: 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C.C.C.C[Si](C)(C)CCOCCl.Cc1c[nH]c2nc(Cl)nc(Cl)c12.Cc1cn(COCC[Si](C)(C)C)c2nc(Cl)nc(-c3cnn(C)c3)c12.Cc1cn(COCC[Si](C)(C)C)c2nc(Cl)nc(Cl)c12.Clc1nc(Cl)c2c(Br)c[nH]c2n1.Clc1nc(Cl)c2cc[nH]c2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C17H24ClN5OSi.C13H19Cl2N3OSi.C10H17BN2O2.C7H5Cl2N3.C6H2BrCl2N3.C6H3Cl2N3.C6H15ClOSi.3CH4/c1-12-9-23(11-24-6-7-25(3,4)5)16-14(12)15(20-17(18)21-16)13-8-19-22(2)10-13;1-9-7-18(8-19-5-6-20(2,3)4)12-10(9)11(14)16-13(15)17-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-3-2-10-6-4(3)5(8)11-7(9)12-6;7-2-1-10-5-3(2)4(8)11-6(9)12-5;7-4-3-1-2-9-5(3)11-6(8)10-4;1-9(2,3)5-4-8-6-7;;;/h8-10H,6-7,11H2,1-5H3;7H,5-6,8H2,1-4H3;6-7H,1-5H3;2H,1H3,(H,10,11,12);1H,(H,10,11,12);1-2H,(H,9,10,11);4-6H2,1-3H3;3*1H4
• InChIKey: LJVVILYNNMOOML-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 267.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1790.16
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159371923) is 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.C.C.C[Si](C)(C)CCOCCl.Cc1c[nH]c2nc(Cl)nc(Cl)c12.Cc1cn(COCC[Si](C)(C)C)c2nc(Cl)nc(-c3cnn(C)c3)c12.Cc1cn(COCC[Si](C)(C)C)c2nc(Cl)nc(Cl)c12.Clc1nc(Cl)c2c(Br)c[nH]c2n1.Clc1nc(Cl)c2cc[nH]c2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LJVVILYNNMOOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5OSi.C13H19Cl2N3OSi.C10H17BN2O2.C7H5Cl2N3.C6H2BrCl2N3.C6H3Cl2N3.C6H15ClOSi.3CH4/c1-12-9-23(11-24-6-7-25(3,4)5)16-14(12)15(20-17(18)21-16)13-8-19-22(2)10-13;1-9-7-18(8-19-5-6-20(2,3)4)12-10(9)11(14)16-13(15)17-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-3-2-10-6-4(3)5(8)11-7(9)12-6;7-2-1-10-5-3(2)4(8)11-6(9)12-5;7-4-3-1-2-9-5(3)11-6(8)10-4;1-9(2,3)5-4-8-6-7;;;/h8-10H,6-7,11H2,1-5H3;7H,5-6,8H2,1-4H3;6-7H,1-5H3;2H,1H3,(H,10,11,12);1H,(H,10,11,12);1-2H,(H,9,10,11);4-6H2,1-3H3;3*1H4.

What are the key properties of 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1790.16 g/mol, XLogP of 21.49, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-(chloromethoxy)ethyl-trimethylsilane;2-[[2-chloro-5-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159371923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).