2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C22H20FN7O — CID 155557617

IUPAC2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCCC(c1ccc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C22H20FN7O/c1-2-19(16-5-6-17-15(20(16)23)4-3-7-24-17)30-13-26-21-22(30)28-18(11-25-21)14-10-27-29(12-14)8-9-31/h3-7,10-13,19,31H,2,8-9H2,1H3
InChIKeyQGOBGKGYVQFZPI-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 155557617) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID155557617
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCCC(c1ccc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C22H20FN7O/c1-2-19(16-5-6-17-15(20(16)23)4-3-7-24-17)30-13-26-21-22(30)28-18(11-25-21)14-10-27-29(12-14)8-9-31/h3-7,10-13,19,31H,2,8-9H2,1H3
InChIKeyQGOBGKGYVQFZPI-UHFFFAOYSA-N
XLogP3.37
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 155557617) is 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CCC(c1ccc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21.
What is the InChIKey of 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is QGOBGKGYVQFZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-2-19(16-5-6-17-15(20(16)23)4-3-7-24-17)30-13-26-21-22(30)28-18(11-25-21)14-10-27-29(12-14)8-9-31/h3-7,10-13,19,31H,2,8-9H2,1H3.
What are the key properties of 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 417.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155557617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).