2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C25H29ClFN5O2Si — CID 162760390

About 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162760390) has the molecular formula C25H29ClFN5O2Si and a molecular weight of 514.08 g/mol. Its IUPAC name is 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 162760390
• Molecular Formula: C25H29ClFN5O2Si
• Molecular Weight: 514.08 g/mol
• Exact Mass: 513.18
• IUPAC Name: 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cc(-c2c(-c3ccc(Cl)c(F)c3)nn3c2COCC3)c2cnn(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C25H29ClFN5O2Si/c1-16-11-18(19-13-28-32(25(19)29-16)15-34-9-10-35(2,3)4)23-22-14-33-8-7-31(22)30-24(23)17-5-6-20(26)21(27)12-17/h5-6,11-13H,7-10,14-15H2,1-4H3
• InChIKey: PMMQBGGDMIKFHK-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 66.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.08
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162760390) is 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(-c2c(-c3ccc(Cl)c(F)c3)nn3c2COCC3)c2cnn(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is PMMQBGGDMIKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2Si/c1-16-11-18(19-13-28-32(25(19)29-16)15-34-9-10-35(2,3)4)23-22-14-33-8-7-31(22)30-24(23)17-5-6-20(26)21(27)12-17/h5-6,11-13H,7-10,14-15H2,1-4H3.

What are the key properties of 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 514.08 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[2-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162760390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).