4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one

C22H23FN2O2 — CID 123612734

IUPAC4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
SMILESCc1c(F)cccc1OC1CC(CCCC(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C22H23FN2O2/c1-15-19(23)7-5-10-22(15)27-17-12-16(13-17)6-4-9-21(26)18-14-24-25-11-3-2-8-20(18)25/h2-3,5,7-8,10-11,14,16-17H,4,6,9,12-13H2,1H3
InChIKeyILUGJYSVERSFON-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.99
Rot. Bonds7

About 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one

4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one (PubChem CID 123612734) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
PubChem CID123612734
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
SMILESCc1c(F)cccc1OC1CC(CCCC(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C22H23FN2O2/c1-15-19(23)7-5-10-22(15)27-17-12-16(13-17)6-4-9-21(26)18-14-24-25-11-3-2-8-20(18)25/h2-3,5,7-8,10-11,14,16-17H,4,6,9,12-13H2,1H3
InChIKeyILUGJYSVERSFON-UHFFFAOYSA-N
XLogP4.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-difluorophenoxy)cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 67963279
4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one
CID 103124735
3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine
CID 67812957
2-(2,4-difluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124128
3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[4-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
CID 162591089
[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
CID 67813271
N-[3-(3-fluorophenoxy)cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 67963278
[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70723973
3-(methylamino)-1-pyrazolo[1,5-a]pyridin-3-yl-3-[3-[3-(trifluoromethoxy)phenoxy]cyclobutyl]propan-1-one
CID 162591090
N-[(3-aminocyclobutyl)methyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123141
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124247
[(3aS,5R,6R,7aR)-5-(4-fluorophenoxy)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 172662963

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one?
The IUPAC name of 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one (CID 123612734) is 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one.
What is the SMILES notation for 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one?
The canonical SMILES for 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one is Cc1c(F)cccc1OC1CC(CCCC(=O)c2cnn3ccccc23)C1.
What is the InChIKey of 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one?
The InChIKey is ILUGJYSVERSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-19(23)7-5-10-22(15)27-17-12-16(13-17)6-4-9-21(26)18-14-24-25-11-3-2-8-20(18)25/h2-3,5,7-8,10-11,14,16-17H,4,6,9,12-13H2,1H3.
What are the key properties of 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one?
4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one has a molecular weight of 366.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-2-methylphenoxy)cyclobutyl]-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one is sourced from PubChem (CID 123612734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).