dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C56H83BN18O5P2Si3 — CID 157249708

About dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 157249708) has the molecular formula C56H83BN18O5P2Si3 and a molecular weight of 1245.42 g/mol. Its IUPAC name is dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• PubChem CID: 157249708
• Molecular Formula: C56H83BN18O5P2Si3
• Molecular Weight: 1245.42 g/mol
• Exact Mass: 1244.57
• IUPAC Name: dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• SMILES: COB(OC)c1cnn(C)c1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(PP)c3)ncnc21.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1ccn2COCC[Si](C)(C)C
• InChI: InChI=1S/C15H23N5OP2Si.C15H21N5OSi.C13H21N3OSi.C7H7N3.C6H11BN2O2/c1-24(2,3)7-6-21-11-19-5-4-13-14(16-10-17-15(13)19)12-8-18-20(9-12)23-22;1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20;1-11-12-5-6-16(13(12)15-9-14-11)10-17-7-8-18(2,3)4;1-5-6-2-3-8-7(6)10-4-9-5;1-9-5-6(4-8-9)7(10-2)11-3/h4-5,8-10,23H,6-7,11,22H2,1-3H3;4-5,8-10H,6-7,11H2,1-3H3,(H,18,19);5-6,9H,7-8,10H2,1-4H3;2-4H,1H3,(H,8,9,10);4-5H,1-3H3
• InChIKey: AWETYMZWHMSBDY-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 244.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.42
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	2
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The IUPAC name of dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 157249708) is dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

What is the SMILES notation for dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The canonical SMILES for dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is COB(OC)c1cnn(C)c1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(PP)c3)ncnc21.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1ccn2COCC[Si](C)(C)C.

What is the InChIKey of dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The InChIKey is AWETYMZWHMSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OP2Si.C15H21N5OSi.C13H21N3OSi.C7H7N3.C6H11BN2O2/c1-24(2,3)7-6-21-11-19-5-4-13-14(16-10-17-15(13)19)12-8-18-20(9-12)23-22;1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20;1-11-12-5-6-16(13(12)15-9-14-11)10-17-7-8-18(2,3)4;1-5-6-2-3-8-7(6)10-4-9-5;1-9-5-6(4-8-9)7(10-2)11-3/h4-5,8-10,23H,6-7,11,22H2,1-3H3;4-5,8-10H,6-7,11H2,1-3H3,(H,18,19);5-6,9H,7-8,10H2,1-4H3;2-4H,1H3,(H,8,9,10);4-5H,1-3H3.

What are the key properties of dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1245.42 g/mol, XLogP of 10.70, 21 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dimethoxy-(1-methylpyrazol-4-yl)borane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;phosphanyl-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]phosphane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 157249708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).