Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate

C₄₈H₆₆F₂N₈O₅Si — CID 156678365

About Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate

Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate (PubChem CID 156678365) has the molecular formula C₄₈H₆₆F₂N₈O₅Si and a molecular weight of 901.19 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
• PubChem CID: 156678365
• Molecular Formula: C₄₈H₆₆F₂N₈O₅Si
• Molecular Weight: 901.19 g/mol
• Exact Mass: 900.49
• IUPAC Name: tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
• SMILES: CC(C)c1nccc(CCCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(-c3c(F)ccc4cnn(C5CCCCO5)c34)nc21
• InChI: InChI=1S/C48H66F2N8O5Si/c1-29(2)39-42(32(21-22-51-39)17-13-16-24-62-64(11,12)48(8,9)10)57-44-34(43(54-45(57)59)55-27-31(4)56(28-30(55)3)46(60)63-47(5,6)7)25-36(50)40(53-44)38-35(49)20-19-33-26-52-58(41(33)38)37-18-14-15-23-61-37/h19-22,25-26,29-31,37H,13-18,23-24,27-28H2,1-12H3/t30-,31+,37?/m0/s1
• InChIKey: UAPNHHUTALBDQM-IRZVIENTSA-N
• XLogP: 10.47
• TPSA: 129.73 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.19
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate?

The IUPAC name of Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate (CID 156678365) is tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate.

What is the SMILES notation for Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate?

The canonical SMILES for Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate is CC(C)c1nccc(CCCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(-c3c(F)ccc4cnn(C5CCCCO5)c34)nc21.

What is the InChIKey of Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate?

The InChIKey is UAPNHHUTALBDQM-IRZVIENTSA-N. The full InChI is InChI=1S/C48H66F2N8O5Si/c1-29(2)39-42(32(21-22-51-39)17-13-16-24-62-64(11,12)48(8,9)10)57-44-34(43(54-45(57)59)55-27-31(4)56(28-30(55)3)46(60)63-47(5,6)7)25-36(50)40(53-44)38-35(49)20-19-33-26-52-58(41(33)38)37-18-14-15-23-61-37/h19-22,25-26,29-31,37H,13-18,23-24,27-28H2,1-12H3/t30-,31+,37?/m0/s1.

What are the key properties of Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate?

Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate has a molecular weight of 901.19 g/mol, XLogP of 10.47, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (2R,5S)-4-[1-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-[6-fluoro-1-(oxan-2-yl)indazol-7-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 156678365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156678365 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.