2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C21H18FN7O — CID 141370383

IUPAC2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C21H18FN7O/c1-13(16-7-14-3-2-4-23-18(14)8-17(16)22)29-12-25-20-21(29)27-19(10-24-20)15-9-26-28(11-15)5-6-30/h2-4,7-13,30H,5-6H2,1H3
InChIKeyWIBDVMYIRNQDSL-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 141370383) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID141370383
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C21H18FN7O/c1-13(16-7-14-3-2-4-23-18(14)8-17(16)22)29-12-25-20-21(29)27-19(10-24-20)15-9-26-28(11-15)5-6-30/h2-4,7-13,30H,5-6H2,1H3
InChIKeyWIBDVMYIRNQDSL-UHFFFAOYSA-N
XLogP2.98
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.98
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-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 141370383) is 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21.
What is the InChIKey of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is WIBDVMYIRNQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c1-13(16-7-14-3-2-4-23-18(14)8-17(16)22)29-12-25-20-21(29)27-19(10-24-20)15-9-26-28(11-15)5-6-30/h2-4,7-13,30H,5-6H2,1H3.
What are the key properties of 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 403.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 141370383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).