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

C21H17F2N7O — CID 141456400

IUPAC2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C21H17F2N7O/c1-12(18-15(22)7-16-14(19(18)23)3-2-4-24-16)30-11-26-20-21(30)28-17(9-25-20)13-8-27-29(10-13)5-6-31/h2-4,7-12,31H,5-6H2,1H3
InChIKeyDXDGGLYIMKLRQD-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.12
Rot. Bonds5

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

2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 141456400) has the molecular formula C21H17F2N7O and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID141456400
Molecular FormulaC21H17F2N7O
Molecular Weight421.41 g/mol
Exact Mass421.15
IUPAC Name2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21
InChIInChI=1S/C21H17F2N7O/c1-12(18-15(22)7-16-14(19(18)23)3-2-4-24-16)30-11-26-20-21(30)28-17(9-25-20)13-8-27-29(10-13)5-6-31/h2-4,7-12,31H,5-6H2,1H3
InChIKeyDXDGGLYIMKLRQD-UHFFFAOYSA-N
XLogP3.12
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.12
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-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 141456400) is 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnn(CCO)c3)nc21.
What is the InChIKey of 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is DXDGGLYIMKLRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O/c1-12(18-15(22)7-16-14(19(18)23)3-2-4-24-16)30-11-26-20-21(30)28-17(9-25-20)13-8-27-29(10-13)5-6-31/h2-4,7-12,31H,5-6H2,1H3.
What are the key properties of 2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 421.41 g/mol, XLogP of 3.12, 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-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 141456400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).