2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C17H22F2N4OSi — CID 158932412

IUPAC2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(C3=C(C(F)F)CN=C3)ncnc21
InChIInChI=1S/C17H22F2N4OSi/c1-25(2,3)7-6-24-11-23-5-4-12-15(21-10-22-17(12)23)13-8-20-9-14(13)16(18)19/h4-5,8,10,16H,6-7,9,11H2,1-3H3
InChIKeyJJFPRFZFTXMAOR-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.85
Rot. Bonds7

About 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158932412) has the molecular formula C17H22F2N4OSi and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID158932412
Molecular FormulaC17H22F2N4OSi
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(C3=C(C(F)F)CN=C3)ncnc21
InChIInChI=1S/C17H22F2N4OSi/c1-25(2,3)7-6-24-11-23-5-4-12-15(21-10-22-17(12)23)13-8-20-9-14(13)16(18)19/h4-5,8,10,16H,6-7,9,11H2,1-3H3
InChIKeyJJFPRFZFTXMAOR-UHFFFAOYSA-N
XLogP3.85
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-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-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 158932412) is 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(C3=C(C(F)F)CN=C3)ncnc21.
What is the InChIKey of 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JJFPRFZFTXMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4OSi/c1-25(2,3)7-6-24-11-23-5-4-12-15(21-10-22-17(12)23)13-8-20-9-14(13)16(18)19/h4-5,8,10,16H,6-7,9,11H2,1-3H3.
What are the key properties of 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 364.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(difluoromethyl)-2H-pyrrol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158932412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).