tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane

C28H37F2N7O2Si — CID 156770070

About tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane

tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane (PubChem CID 156770070) has the molecular formula C28H37F2N7O2Si and a molecular weight of 569.73 g/mol. Its IUPAC name is tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane
• PubChem CID: 156770070
• Molecular Formula: C28H37F2N7O2Si
• Molecular Weight: 569.73 g/mol
• Exact Mass: 569.27
• IUPAC Name: tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane
• SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1nc2c(-c3nc[nH]c3CCCO[Si](C)(C)C(C)(C)C)cnn2cc1F
• InChI: InChI=1S/C28H37F2N7O2Si/c1-28(2,3)40(5,6)39-12-8-9-22-24(33-17-32-22)20-15-34-37-16-21(30)26(35-25(20)37)36-11-7-10-23(36)19-13-18(29)14-31-27(19)38-4/h13-17,23H,7-12H2,1-6H3,(H,32,33)/t23-/m1/s1
• InChIKey: QZANSJAXJTUWPH-HSZRJFAPSA-N
• XLogP: 6.10
• TPSA: 93.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.73
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane (CID 156770070) is tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane is COc1ncc(F)cc1[C@H]1CCCN1c1nc2c(-c3nc[nH]c3CCCO[Si](C)(C)C(C)(C)C)cnn2cc1F.

What is the InChIKey of tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane?

The InChIKey is QZANSJAXJTUWPH-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H37F2N7O2Si/c1-28(2,3)40(5,6)39-12-8-9-22-24(33-17-32-22)20-15-34-37-16-21(30)26(35-25(20)37)36-11-7-10-23(36)19-13-18(29)14-31-27(19)38-4/h13-17,23H,7-12H2,1-6H3,(H,32,33)/t23-/m1/s1.

What are the key properties of tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane?

tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane has a molecular weight of 569.73 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 156770070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).