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

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

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Related Compounds

7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]propyl]quinoline
CID 155549474
5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
CID 141358659
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
CID 141370285
4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
CID 141370388
2-[4-[3-[1-(7-fluoroquinolin-6-yl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 143854442
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol
CID 140621755
6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 162203694
2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 69078688
2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol
CID 67461777

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).