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

C23H27F3N8OSi — CID 150464406

IUPAC2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(-c3nn[nH]n3)cnc21
InChIInChI=1S/C23H27F3N8OSi/c1-36(2,3)7-6-35-13-34-22-18(8-14(11-27-22)21-28-31-32-29-21)23(30-34)33-12-16(25)10-20(33)17-9-15(24)4-5-19(17)26/h4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H,28,29,31,32)/t16-,20+/m0/s1
InChIKeyHQLOUXLMGVJOSG-OXJNMPFZSA-N
MW516.60 g/mol
LogP4.49
Rot. Bonds8

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

2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 150464406) has the molecular formula C23H27F3N8OSi and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID150464406
Molecular FormulaC23H27F3N8OSi
Molecular Weight516.60 g/mol
Exact Mass516.20
IUPAC Name2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(-c3nn[nH]n3)cnc21
InChIInChI=1S/C23H27F3N8OSi/c1-36(2,3)7-6-35-13-34-22-18(8-14(11-27-22)21-28-31-32-29-21)23(30-34)33-12-16(25)10-20(33)17-9-15(24)4-5-19(17)26/h4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H,28,29,31,32)/t16-,20+/m0/s1
InChIKeyHQLOUXLMGVJOSG-OXJNMPFZSA-N
XLogP4.49
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 150464406) is 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-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(-c3nn[nH]n3)cnc21.
What is the InChIKey of 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HQLOUXLMGVJOSG-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H27F3N8OSi/c1-36(2,3)7-6-35-13-34-22-18(8-14(11-27-22)21-28-31-32-29-21)23(30-34)33-12-16(25)10-20(33)17-9-15(24)4-5-19(17)26/h4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H,28,29,31,32)/t16-,20+/m0/s1.
What are the key properties of 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 516.60 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150464406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).