1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea

C43H50N6O7Si — CID 148740675

About 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea

1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea (PubChem CID 148740675) has the molecular formula C43H50N6O7Si and a molecular weight of 790.99 g/mol. Its IUPAC name is 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
• PubChem CID: 148740675
• Molecular Formula: C43H50N6O7Si
• Molecular Weight: 790.99 g/mol
• Exact Mass: 790.35
• IUPAC Name: 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
• SMILES: COCCOCCOCCOc1cc(Cc2nccc(Oc3ccc(NC(=O)Nc4cc([Si](C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(OC)c1
• InChI: InChI=1S/C43H50N6O7Si/c1-30-11-13-32(14-12-30)49-40(29-42(48-49)57(4,5)6)47-43(50)45-37-15-16-38(36-10-8-7-9-35(36)37)56-41-17-18-44-39(46-41)27-31-25-33(52-3)28-34(26-31)55-24-23-54-22-21-53-20-19-51-2/h7-18,25-26,28-29H,19-24,27H2,1-6H3,(H2,45,47,50)
• InChIKey: OCTQMBPNOGXUAG-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 140.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	790.99
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea?

The IUPAC name of 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea (CID 148740675) is 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea.

What is the SMILES notation for 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea?

The canonical SMILES for 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea is COCCOCCOCCOc1cc(Cc2nccc(Oc3ccc(NC(=O)Nc4cc([Si](C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(OC)c1.

What is the InChIKey of 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea?

The InChIKey is OCTQMBPNOGXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N6O7Si/c1-30-11-13-32(14-12-30)49-40(29-42(48-49)57(4,5)6)47-43(50)45-37-15-16-38(36-10-8-7-9-35(36)37)56-41-17-18-44-39(46-41)27-31-25-33(52-3)28-34(26-31)55-24-23-54-22-21-53-20-19-51-2/h7-18,25-26,28-29H,19-24,27H2,1-6H3,(H2,45,47,50).

What are the key properties of 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea?

1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea has a molecular weight of 790.99 g/mol, XLogP of 7.76, 19 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea is sourced from PubChem (CID 148740675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).