2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C16H21FN4OSi — CID 58431395

IUPAC2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)c(F)cnc21
InChIInChI=1S/C16H21FN4OSi/c1-23(2,3)7-6-22-11-21-5-4-13-15(12-8-19-20-9-12)14(17)10-18-16(13)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,20)
InChIKeyZKUHRYHTMWCMIK-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.88
Rot. Bonds6

About 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58431395) has the molecular formula C16H21FN4OSi and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID58431395
Molecular FormulaC16H21FN4OSi
Molecular Weight332.46 g/mol
Exact Mass332.15
IUPAC Name2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)c(F)cnc21
InChIInChI=1S/C16H21FN4OSi/c1-23(2,3)7-6-22-11-21-5-4-13-15(12-8-19-20-9-12)14(17)10-18-16(13)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,20)
InChIKeyZKUHRYHTMWCMIK-UHFFFAOYSA-N
XLogP3.88
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 46885627
4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 46885628
4-(1H-Pyrazol-4-yl)-7-(2-(trimethylsilyl)ethoxy)methyl-7 H-pyrrolo(2,3-d)-pyrimidine
CID 42631346
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-6-amine
CID 155519760
4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 1472386
US20230339900, Example 64
CID 162760977
US20230339900, Example 50
CID 162760999
3 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2.3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CID 57477597
1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 172467696
(3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
CID 148586929
N-(2-fluoro-2-methylpropyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168215564
N-(2-fluoro-2-methylpropyl)-5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168216201

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 58431395) is 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)c(F)cnc21.
What is the InChIKey of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZKUHRYHTMWCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OSi/c1-23(2,3)7-6-22-11-21-5-4-13-15(12-8-19-20-9-12)14(17)10-18-16(13)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 332.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58431395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).