2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane

C18H25FN4OSi — CID 88970818

IUPAC2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=C(F)/C(=C\C=C/C)c1cnc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C18H25FN4OSi/c1-6-7-8-15(14(2)19)16-11-20-18-17(22-16)12-21-23(18)13-24-9-10-25(3,4)5/h6-8,11-12H,2,9-10,13H2,1,3-5H3/b7-6-,15-8+
InChIKeyHNIJHXLKLPWMKO-WLYYOSHGSA-N
MW360.51 g/mol
LogP4.58
Rot. Bonds8

About 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 88970818) has the molecular formula C18H25FN4OSi and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID88970818
Molecular FormulaC18H25FN4OSi
Molecular Weight360.51 g/mol
Exact Mass360.18
IUPAC Name2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=C(F)/C(=C\C=C/C)c1cnc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C18H25FN4OSi/c1-6-7-8-15(14(2)19)16-11-20-18-17(22-16)12-21-23(18)13-24-9-10-25(3,4)5/h6-8,11-12H,2,9-10,13H2,1,3-5H3/b7-6-,15-8+
InChIKeyHNIJHXLKLPWMKO-WLYYOSHGSA-N
XLogP4.58
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.58
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane (CID 88970818) is 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane is C=C(F)/C(=C\C=C/C)c1cnc2c(cnn2COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HNIJHXLKLPWMKO-WLYYOSHGSA-N. The full InChI is InChI=1S/C18H25FN4OSi/c1-6-7-8-15(14(2)19)16-11-20-18-17(22-16)12-21-23(18)13-24-9-10-25(3,4)5/h6-8,11-12H,2,9-10,13H2,1,3-5H3/b7-6-,15-8+.
What are the key properties of 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 360.51 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 88970818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).