5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C89H100BBr3N24O7Si2 — CID 158527452

About 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 158527452) has the molecular formula C89H100BBr3N24O7Si2 and a molecular weight of 1924.64 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• PubChem CID: 158527452
• Molecular Formula: C89H100BBr3N24O7Si2
• Molecular Weight: 1924.64 g/mol
• Exact Mass: 1920.54
• IUPAC Name: 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• SMILES: Brc1c[nH]c2ncncc12.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.C[Si](C)(C)CCOCn1cc(Br)c2cncnc21.Cn1cc(-c2c[nH]c3ncncc23)cn1.Cn1cc(-c2cn(-c3ccc4c(c3)CCC4=O)c3ncncc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncncc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C19H15N5O.C16H14BrNO2.C16H23N5OSi.C12H18BrN3OSi.C10H17BN2O2.C10H9N5.C6H4BrN3/c1-23-9-13(7-22-23)17-10-24(19-16(17)8-20-11-21-19)14-3-4-15-12(6-14)2-5-18(15)25;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;1-20-9-13(7-19-20)15-10-21(12-22-5-6-23(2,3)4)16-14(15)8-17-11-18-16;1-18(2,3)5-4-17-9-16-7-11(13)10-6-14-8-15-12(10)16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-15-5-7(2-14-15)8-4-12-10-9(8)3-11-6-13-10;7-5-2-9-6-4(5)1-8-3-10-6/h3-4,6-11H,2,5H2,1H3;2-8H,9-10H2,1H3;7-11H,5-6,12H2,1-4H3;6-8H,4-5,9H2,1-3H3;6-7H,1-5H3;2-6H,1H3,(H,11,12,13);1-3H,(H,8,9,10)
• InChIKey: HMYMSYQBRUWECB-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 330.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.64
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 158527452) is 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is Brc1c[nH]c2ncncc12.COc1ccc(CN2Cc3cc(Br)ccc3C2=O)cc1.C[Si](C)(C)CCOCn1cc(Br)c2cncnc21.Cn1cc(-c2c[nH]c3ncncc23)cn1.Cn1cc(-c2cn(-c3ccc4c(c3)CCC4=O)c3ncncc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncncc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The InChIKey is HMYMSYQBRUWECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.C16H14BrNO2.C16H23N5OSi.C12H18BrN3OSi.C10H17BN2O2.C10H9N5.C6H4BrN3/c1-23-9-13(7-22-23)17-10-24(19-16(17)8-20-11-21-19)14-3-4-15-12(6-14)2-5-18(15)25;1-20-14-5-2-11(3-6-14)9-18-10-12-8-13(17)4-7-15(12)16(18)19;1-20-9-13(7-19-20)15-10-21(12-22-5-6-23(2,3)4)16-14(15)8-17-11-18-16;1-18(2,3)5-4-17-9-16-7-11(13)10-6-14-8-15-12(10)16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-15-5-7(2-14-15)8-4-12-10-9(8)3-11-6-13-10;7-5-2-9-6-4(5)1-8-3-10-6/h3-4,6-11H,2,5H2,1H3;2-8H,9-10H2,1H3;7-11H,5-6,12H2,1-4H3;6-8H,4-5,9H2,1-3H3;6-7H,1-5H3;2-6H,1H3,(H,11,12,13);1-3H,(H,8,9,10).

What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1924.64 g/mol, XLogP of 17.01, 18 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7H-pyrrolo[2,3-d]pyrimidine;2-[(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;5-[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroinden-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trimethyl-[2-[[5-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158527452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).