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

C18H12F3N5O2 — CID 121237965

IUPAC3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-6-9(10-2-1-5-23-15(10)16(22)27)3-4-11(13)14-12(17(26)28)7-24-25-14/h1-7,14H,8H2,(H2,22,27)
InChIKeyNCUVBEIJXVXQFQ-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.15
Rot. Bonds3

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

3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (PubChem CID 121237965) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
PubChem CID121237965
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-6-9(10-2-1-5-23-15(10)16(22)27)3-4-11(13)14-12(17(26)28)7-24-25-14/h1-7,14H,8H2,(H2,22,27)
InChIKeyNCUVBEIJXVXQFQ-UHFFFAOYSA-N
XLogP3.15
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
4-(2-Trifluoroacetamidophenyl)pyrido[3,2-g]quinoline-5,10-dione
CID 9908770
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307
2-Hydroxy-6-[2-(trifluoroacetylamino)phenyl]pyrido[3,2-g]quinoline-5,10-dione
CID 10971685
7-(6-(aminomethyl)pyridin-3-yl)-9-cyclopropyl-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 11717890
N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 18700190
N-(diaminomethylidene)-4-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58269670
(3R)-3-amino-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70682494
4-(4-Fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 89554847
4-(4-Fluorophenyl)-7-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 89554862
4-(4-Fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide
CID 89554874
4-(4-Fluorophenyl)-7-(2-pyridin-4-ylethyl)quinoline-2-carboxamide
CID 89554879

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-carboxamide?
The IUPAC name of 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (CID 121237965) is 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is NC(=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-carboxamide?
The InChIKey is NCUVBEIJXVXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-6-9(10-2-1-5-23-15(10)16(22)27)3-4-11(13)14-12(17(26)28)7-24-25-14/h1-7,14H,8H2,(H2,22,27).
What are the key properties of 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 3.15, 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-carboxamide is sourced from PubChem (CID 121237965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).