2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid

C₉₄H₁₀₄BCl₃N₁₈O₇Si₃ — CID 159989011

About 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid

2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid (PubChem CID 159989011) has the molecular formula C₉₄H₁₀₄BCl₃N₁₈O₇Si₃ and a molecular weight of 1799.41 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid
• PubChem CID: 159989011
• Molecular Formula: C₉₄H₁₀₄BCl₃N₁₈O₇Si₃
• Molecular Weight: 1799.41 g/mol
• Exact Mass: 1796.68
• IUPAC Name: 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid
• SMILES: C[Si](C)(C)CCOCn1ccc2nc(Cl)nc(-c3cccnc3)c21.C[Si](C)(C)CCOCn1ccc2nc(Cl)nc(Cl)c21.Cc1cccc(C(=O)Nc2ccc(C)c(Cc3nc(-c4cccnc4)c4[nH]ccc4n3)c2)c1.Cc1cccc(C(=O)Nc2ccc(C)c(Cc3nc(-c4cccnc4)c4c(ccn4COCC[Si](C)(C)C)n3)c2)c1.OB(O)c1cccnc1
• InChI: InChI=1S/C33H37N5O2Si.C27H23N5O.C17H21ClN4OSi.C12H17Cl2N3OSi.C5H6BNO2/c1-23-8-6-9-25(18-23)33(39)35-28-12-11-24(2)27(19-28)20-30-36-29-13-15-38(22-40-16-17-41(3,4)5)32(29)31(37-30)26-10-7-14-34-21-26;1-17-5-3-6-19(13-17)27(33)30-22-9-8-18(2)21(14-22)15-24-31-23-10-12-29-26(23)25(32-24)20-7-4-11-28-16-20;1-24(2,3)10-9-23-12-22-8-6-14-16(22)15(21-17(18)20-14)13-5-4-7-19-11-13;1-19(2,3)7-6-18-8-17-5-4-9-10(17)11(13)16-12(14)15-9;8-6(9)5-2-1-3-7-4-5/h6-15,18-19,21H,16-17,20,22H2,1-5H3,(H,35,39);3-14,16,29H,15H2,1-2H3,(H,30,33);4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,8-9H
• InChIKey: OGRZTUWUQKIHAI-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 311.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.41
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid?

The IUPAC name of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid (CID 159989011) is 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid.

What is the SMILES notation for 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid?

The canonical SMILES for 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid is C[Si](C)(C)CCOCn1ccc2nc(Cl)nc(-c3cccnc3)c21.C[Si](C)(C)CCOCn1ccc2nc(Cl)nc(Cl)c21.Cc1cccc(C(=O)Nc2ccc(C)c(Cc3nc(-c4cccnc4)c4[nH]ccc4n3)c2)c1.Cc1cccc(C(=O)Nc2ccc(C)c(Cc3nc(-c4cccnc4)c4c(ccn4COCC[Si](C)(C)C)n3)c2)c1.OB(O)c1cccnc1.

What is the InChIKey of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid?

The InChIKey is OGRZTUWUQKIHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O2Si.C27H23N5O.C17H21ClN4OSi.C12H17Cl2N3OSi.C5H6BNO2/c1-23-8-6-9-25(18-23)33(39)35-28-12-11-24(2)27(19-28)20-30-36-29-13-15-38(22-40-16-17-41(3,4)5)32(29)31(37-30)26-10-7-14-34-21-26;1-17-5-3-6-19(13-17)27(33)30-22-9-8-18(2)21(14-22)15-24-31-23-10-12-29-26(23)25(32-24)20-7-4-11-28-16-20;1-24(2,3)10-9-23-12-22-8-6-14-16(22)15(21-17(18)20-14)13-5-4-7-19-11-13;1-19(2,3)7-6-18-8-17-5-4-9-10(17)11(13)16-12(14)15-9;8-6(9)5-2-1-3-7-4-5/h6-15,18-19,21H,16-17,20,22H2,1-5H3,(H,35,39);3-14,16,29H,15H2,1-2H3,(H,30,33);4-8,11H,9-10,12H2,1-3H3;4-5H,6-8H2,1-3H3;1-4,8-9H.

What are the key properties of 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid?

2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid has a molecular weight of 1799.41 g/mol, XLogP of 20.02, 27 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane;3-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]benzamide;3-methyl-N-[4-methyl-3-[[4-pyridin-3-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]benzamide;pyridin-3-ylboronic acid is sourced from PubChem (CID 159989011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159989011 — identifiers, structure, computed properties (public domain)

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