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

C42H47N7O5Si — CID 148555529

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

1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea (PubChem CID 148555529) has the molecular formula C42H47N7O5Si and a molecular weight of 757.97 g/mol. Its IUPAC name is 1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
• PubChem CID: 148555529
• Molecular Formula: C42H47N7O5Si
• Molecular Weight: 757.97 g/mol
• Exact Mass: 757.34
• IUPAC Name: 1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
• SMILES: COc1cc(Cc2nccc(Oc3ccc(NC(=O)Nc4cc([Si](C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
• InChI: InChI=1S/C42H47N7O5Si/c1-29-10-12-31(13-11-29)49-39(28-41(47-49)55(3,4)5)46-42(50)44-36-14-15-37(35-9-7-6-8-34(35)36)54-40-16-17-43-38(45-40)26-30-24-32(51-2)27-33(25-30)53-23-20-48-18-21-52-22-19-48/h6-17,24-25,27-28H,18-23,26H2,1-5H3,(H2,44,46,50)
• InChIKey: MTZIMSBAWPAKBD-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 124.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.97
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea (CID 148555529) is 1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)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-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea is COc1cc(Cc2nccc(Oc3ccc(NC(=O)Nc4cc([Si](C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(OCCN2CCOCC2)c1.

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

The InChIKey is MTZIMSBAWPAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47N7O5Si/c1-29-10-12-31(13-11-29)49-39(28-41(47-49)55(3,4)5)46-42(50)44-36-14-15-37(35-9-7-6-8-34(35)36)54-40-16-17-43-38(45-40)26-30-24-32(51-2)27-33(25-30)53-23-20-48-18-21-52-22-19-48/h6-17,24-25,27-28H,18-23,26H2,1-5H3,(H2,44,46,50).

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

1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea has a molecular weight of 757.97 g/mol, XLogP of 7.42, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea is sourced from PubChem (CID 148555529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).