5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one

C18H12FN3O — CID 167973585

IUPAC5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2c(F)cc(-c3cccc(-c4ccn[nH]4)c3)cc12
InChIInChI=1S/C18H12FN3O/c19-16-10-13(9-15-14(16)4-6-20-18(15)23)11-2-1-3-12(8-11)17-5-7-21-22-17/h1-10H,(H,20,23)(H,21,22)
InChIKeyFNOFENJOVBLCGZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.72
Rot. Bonds2

About 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one

5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one (PubChem CID 167973585) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one
PubChem CID167973585
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2c(F)cc(-c3cccc(-c4ccn[nH]4)c3)cc12
InChIInChI=1S/C18H12FN3O/c19-16-10-13(9-15-14(16)4-6-20-18(15)23)11-2-1-3-12(8-11)17-5-7-21-22-17/h1-10H,(H,20,23)(H,21,22)
InChIKeyFNOFENJOVBLCGZ-UHFFFAOYSA-N
XLogP3.72
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
6-(2-aminoethyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982356
6-(3-aminopropyl)-4-bromo-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982488
6-(3-aminopropyl)-4-phenyl-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 15982612
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
6-(2-aminoethyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443518
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443519
6-(3-aminopropyl)-9-(1H-pyrazol-5-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443521
6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinylbenzo[h]isoquinolin-1(2H)-one
CID 44443536
6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443539
6-(3-aminopropyl)-4-(3-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443542

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one?
The IUPAC name of 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one (CID 167973585) is 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one?
The canonical SMILES for 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one is O=c1[nH]ccc2c(F)cc(-c3cccc(-c4ccn[nH]4)c3)cc12.
What is the InChIKey of 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one?
The InChIKey is FNOFENJOVBLCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-16-10-13(9-15-14(16)4-6-20-18(15)23)11-2-1-3-12(8-11)17-5-7-21-22-17/h1-10H,(H,20,23)(H,21,22).
What are the key properties of 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one?
5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one has a molecular weight of 305.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 167973585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).