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

C27H31F5N6OSi — CID 164764271

About 2-[[5-[1-(2,2-difluoroethyl)pyrazol-4-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)pyrazol-4-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164764271) has the molecular formula C27H31F5N6OSi and a molecular weight of 578.66 g/mol. Its IUPAC name is 2-[[5-[1-(2,2-difluoroethyl)pyrazol-4-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)pyrazol-4-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 164764271
• Molecular Formula: C27H31F5N6OSi
• Molecular Weight: 578.66 g/mol
• Exact Mass: 578.22
• IUPAC Name: 2-[[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(-c3cnn(CC(F)F)c3)cnc21
• InChI: InChI=1S/C27H31F5N6OSi/c1-40(2,3)7-6-39-16-38-26-22(8-17(11-33-26)18-12-34-36(13-18)15-25(31)32)27(35-38)37-14-20(29)10-24(37)21-9-19(28)4-5-23(21)30/h4-5,8-9,11-13,20,24-25H,6-7,10,14-16H2,1-3H3/t20-,24+/m0/s1
• InChIKey: AUUUXYOSGCEUEA-GBXCKJPGSA-N
• XLogP: 6.44
• TPSA: 61.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.66
LogP ≤ 5	6.44
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)pyrazol-4-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)pyrazol-4-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 164764271) is 2-[[5-[1-(2,2-difluoroethyl)pyrazol-4-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)pyrazol-4-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)pyrazol-4-yl]-3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(-c3cnn(CC(F)F)c3)cnc21.

What is the InChIKey of 2-[[5-[1-(2,2-difluoroethyl)pyrazol-4-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 AUUUXYOSGCEUEA-GBXCKJPGSA-N. The full InChI is InChI=1S/C27H31F5N6OSi/c1-40(2,3)7-6-39-16-38-26-22(8-17(11-33-26)18-12-34-36(13-18)15-25(31)32)27(35-38)37-14-20(29)10-24(37)21-9-19(28)4-5-23(21)30/h4-5,8-9,11-13,20,24-25H,6-7,10,14-16H2,1-3H3/t20-,24+/m0/s1.

What are the key properties of 2-[[5-[1-(2,2-difluoroethyl)pyrazol-4-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)pyrazol-4-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 578.66 g/mol, XLogP of 6.44, 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)pyrazol-4-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 164764271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).