5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid

C18H12FN3O3 — CID 91904119

IUPAC5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12
InChIInChI=1S/C18H12FN3O3/c19-13-3-1-2-11(8-13)10-21-16-9-12(18(24)25)4-5-14(16)22-15(17(21)23)6-7-20-22/h1-9H,10H2,(H,24,25)
InChIKeyDCJUWXHWVOPSGY-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.53
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid

5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid (PubChem CID 91904119) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid
PubChem CID91904119
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12
InChIInChI=1S/C18H12FN3O3/c19-13-3-1-2-11(8-13)10-21-16-9-12(18(24)25)4-5-14(16)22-15(17(21)23)6-7-20-22/h1-9H,10H2,(H,24,25)
InChIKeyDCJUWXHWVOPSGY-UHFFFAOYSA-N
XLogP2.53
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid (CID 91904119) is 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid is O=C(O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid?
The InChIKey is DCJUWXHWVOPSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-13-3-1-2-11(8-13)10-21-16-9-12(18(24)25)4-5-14(16)22-15(17(21)23)6-7-20-22/h1-9H,10H2,(H,24,25).
What are the key properties of 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid?
5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxylic acid is sourced from PubChem (CID 91904119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).