2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C28H33F5N6OSi — CID 151279030

About 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151279030) has the molecular formula C28H33F5N6OSi and a molecular weight of 592.69 g/mol. Its IUPAC name is 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 151279030
• Molecular Formula: C28H33F5N6OSi
• Molecular Weight: 592.69 g/mol
• Exact Mass: 592.24
• IUPAC Name: 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cn(CC(F)F)nc1-c1cnc2c(c1)c(N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F)nn2COCC[Si](C)(C)C
• InChI: InChI=1S/C28H33F5N6OSi/c1-17-13-37(15-25(32)33)35-26(17)18-9-22-27(34-12-18)39(16-40-7-8-41(2,3)4)36-28(22)38-14-20(30)11-24(38)21-10-19(29)5-6-23(21)31/h5-6,9-10,12-13,20,24-25H,7-8,11,14-16H2,1-4H3/t20-,24+/m0/s1
• InChIKey: NXZBFUQWIRJJHK-GBXCKJPGSA-N
• XLogP: 6.75
• TPSA: 61.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.69
LogP ≤ 5	6.75
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-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 151279030) is 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1cn(CC(F)F)nc1-c1cnc2c(c1)c(N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F)nn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is NXZBFUQWIRJJHK-GBXCKJPGSA-N. The full InChI is InChI=1S/C28H33F5N6OSi/c1-17-13-37(15-25(32)33)35-26(17)18-9-22-27(34-12-18)39(16-40-7-8-41(2,3)4)36-28(22)38-14-20(30)11-24(38)21-10-19(29)5-6-23(21)31/h5-6,9-10,12-13,20,24-25H,7-8,11,14-16H2,1-4H3/t20-,24+/m0/s1.

What are the key properties of 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 592.69 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[1-(2,2-difluoroethyl)-4-methylpyrazol-3-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151279030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).