3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol

C26H37FN4O2Si — CID 140807619

About 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol

3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol (PubChem CID 140807619) has the molecular formula C26H37FN4O2Si and a molecular weight of 484.69 g/mol. Its IUPAC name is 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol.

Molecular Properties

• Compound Name: 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol
• PubChem CID: 140807619
• Molecular Formula: C26H37FN4O2Si
• Molecular Weight: 484.69 g/mol
• Exact Mass: 484.27
• IUPAC Name: 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCc1ccn2ncc(-c3cc(O)ccc3F)c2n1
• InChI: InChI=1S/C26H37FN4O2Si/c1-26(2,3)34(4,5)33-18-20-9-7-14-30(20)13-6-8-19-12-15-31-25(29-19)23(17-28-31)22-16-21(32)10-11-24(22)27/h10-12,15-17,20,32H,6-9,13-14,18H2,1-5H3/t20-/m0/s1
• InChIKey: NBMXTJGQRDNIPE-FQEVSTJZSA-N
• XLogP: 5.66
• TPSA: 62.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.69
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol?

The IUPAC name of 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol (CID 140807619) is 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol.

What is the SMILES notation for 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol?

The canonical SMILES for 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCc1ccn2ncc(-c3cc(O)ccc3F)c2n1.

What is the InChIKey of 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol?

The InChIKey is NBMXTJGQRDNIPE-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H37FN4O2Si/c1-26(2,3)34(4,5)33-18-20-9-7-14-30(20)13-6-8-19-12-15-31-25(29-19)23(17-28-31)22-16-21(32)10-11-24(22)27/h10-12,15-17,20,32H,6-9,13-14,18H2,1-5H3/t20-/m0/s1.

What are the key properties of 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol?

3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol has a molecular weight of 484.69 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-fluorophenol is sourced from PubChem (CID 140807619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).