8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one

C15H12ClFN2O2 — CID 90064248

IUPAC8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(O)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O2/c1-9(20)13-8-18-6-5-12(16)14(18)15(21)19(13)11-4-2-3-10(17)7-11/h2-9,20H,1H3
InChIKeyFCLFWADHACBUTP-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.94
Rot. Bonds2

About 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one

8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90064248) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one
PubChem CID90064248
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(O)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O2/c1-9(20)13-8-18-6-5-12(16)14(18)15(21)19(13)11-4-2-3-10(17)7-11/h2-9,20H,1H3
InChIKeyFCLFWADHACBUTP-UHFFFAOYSA-N
XLogP2.94
TPSA46.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
CID 90032093
3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane
CID 144557642
5-chloro-3-(3-fluorophenyl)-2-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134433516
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl] carbamate
CID 175039954
3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one
CID 90064274
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]carbamic acid
CID 137463939
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl] N-tert-butylcarbamate
CID 175036290
8-chloro-2-phenyl-3-[1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a]pyrazin-1-one
CID 90064115
5-chloro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73053371
4-[[(1S)-1-[5-chloro-3-(3-fluorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl]ethyl]amino]-2-methyl-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294818
[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-3-methylbutyl]carbamic acid
CID 90235469
8-chloro-2-(3-fluorophenyl)-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one
CID 71232721

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one (CID 90064248) is 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one is CC(O)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is FCLFWADHACBUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-9(20)13-8-18-6-5-12(16)14(18)15(21)19(13)11-4-2-3-10(17)7-11/h2-9,20H,1H3.
What are the key properties of 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one?
8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 306.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-fluorophenyl)-3-(1-hydroxyethyl)pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90064248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).