1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea

C35H43FN8O3Si — CID 69097839

About 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea

1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea (PubChem CID 69097839) has the molecular formula C35H43FN8O3Si and a molecular weight of 670.87 g/mol. Its IUPAC name is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
• PubChem CID: 69097839
• Molecular Formula: C35H43FN8O3Si
• Molecular Weight: 670.87 g/mol
• Exact Mass: 670.32
• IUPAC Name: 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
• SMILES: CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)(C)CO[Si](C)(C)C(C)(C)C)nn4-c4ccccc4)c3)c(=O)n(C)c2n1
• InChI: InChI=1S/C35H43FN8O3Si/c1-34(2,3)48(8,9)47-21-35(4,5)28-19-29(44(42-28)24-13-11-10-12-14-24)40-33(46)39-27-18-22(15-16-26(27)36)25-17-23-20-38-32(37-6)41-30(23)43(7)31(25)45/h10-20H,21H2,1-9H3,(H,37,38,41)(H2,39,40,46)
• InChIKey: XJYYZDQOLCFEIW-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 127.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.87
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?

The IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea (CID 69097839) is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea.

What is the SMILES notation for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?

The canonical SMILES for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea is CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)(C)CO[Si](C)(C)C(C)(C)C)nn4-c4ccccc4)c3)c(=O)n(C)c2n1.

What is the InChIKey of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?

The InChIKey is XJYYZDQOLCFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43FN8O3Si/c1-34(2,3)48(8,9)47-21-35(4,5)28-19-29(44(42-28)24-13-11-10-12-14-24)40-33(46)39-27-18-22(15-16-26(27)36)25-17-23-20-38-32(37-6)41-30(23)43(7)31(25)45/h10-20H,21H2,1-9H3,(H,37,38,41)(H2,39,40,46).

What are the key properties of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?

1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea has a molecular weight of 670.87 g/mol, XLogP of 7.31, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-1-phenylpyrazol-5-yl]-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea is sourced from PubChem (CID 69097839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).