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3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid

C18H11F3N4O3 — CID 121237948

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C18H11F3N4O3/c19-18(20,21)8-25-13-6-9(10-2-1-5-22-15(10)17(27)28)3-4-11(13)14-12(16(25)26)7-23-24-14/h1-7,14H,8H2,(H,27,28)
InChIKeyFJLLZLJMHMRWMJ-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.75
Rot. Bonds3

About 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid

3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid (PubChem CID 121237948) has the molecular formula C18H11F3N4O3 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid
PubChem CID121237948
Molecular FormulaC18H11F3N4O3
Molecular Weight388.31 g/mol
Exact Mass388.08
IUPAC Name3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C18H11F3N4O3/c19-18(20,21)8-25-13-6-9(10-2-1-5-22-15(10)17(27)28)3-4-11(13)14-12(16(25)26)7-23-24-14/h1-7,14H,8H2,(H,27,28)
InChIKeyFJLLZLJMHMRWMJ-UHFFFAOYSA-N
XLogP3.75
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid (CID 121237948) is 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12.
What is the InChIKey of 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid?
The InChIKey is FJLLZLJMHMRWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O3/c19-18(20,21)8-25-13-6-9(10-2-1-5-22-15(10)17(27)28)3-4-11(13)14-12(16(25)26)7-23-24-14/h1-7,14H,8H2,(H,27,28).
What are the key properties of 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid?
3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid has a molecular weight of 388.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 121237948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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