dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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

C59H91BI4N18O5P2Si3 — CID 157174392

About dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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;iodoform;iodomethane;methane;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 157174392) has the molecular formula C59H91BI4N18O5P2Si3 and a molecular weight of 1797.13 g/mol. Its IUPAC name is dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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;iodoform;iodomethane;methane;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: 157174392
• Molecular Formula: C59H91BI4N18O5P2Si3
• Molecular Weight: 1797.13 g/mol
• Exact Mass: 1796.25
• IUPAC Name: dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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: C.CI.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.IC(I)I
• InChI: InChI=1S/C15H23N5OP2Si.C15H21N5OSi.C13H21N3OSi.C7H7N3.C6H11BN2O2.CHI3.CH3I.CH4/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;2-1(3)4;1-2;/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;1H;1H3;1H4
• InChIKey: ANVLMEUVCGVPLE-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 244.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.13
LogP ≤ 5	14.96
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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;iodoform;iodomethane;methane;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 157174392) is dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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;iodoform;iodomethane;methane;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;iodoform;iodomethane;methane;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 C.CI.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.IC(I)I.

What is the InChIKey of dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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 ANVLMEUVCGVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OP2Si.C15H21N5OSi.C13H21N3OSi.C7H7N3.C6H11BN2O2.CHI3.CH3I.CH4/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;2-1(3)4;1-2;/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;1H;1H3;1H4.

What are the key properties of dimethoxy-(1-methylpyrazol-4-yl)borane;iodoform;iodomethane;methane;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;iodoform;iodomethane;methane;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 1797.13 g/mol, XLogP of 14.96, 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;iodoform;iodomethane;methane;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 157174392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).