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

C20H16F3N5O2 — CID 121237958

IUPACN,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C20H16F3N5O2/c1-27(2)19(30)17-12(4-3-7-24-17)11-5-6-13-15(8-11)28(10-20(21,22)23)18(29)14-9-25-26-16(13)14/h3-9,16H,10H2,1-2H3
InChIKeyQQNHVEPMERSUSJ-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.75
Rot. Bonds3

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

N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (PubChem CID 121237958) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
PubChem CID121237958
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC NameN,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C20H16F3N5O2/c1-27(2)19(30)17-12(4-3-7-24-17)11-5-6-13-15(8-11)28(10-20(21,22)23)18(29)14-9-25-26-16(13)14/h3-9,16H,10H2,1-2H3
InChIKeyQQNHVEPMERSUSJ-UHFFFAOYSA-N
XLogP3.75
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (CID 121237958) is N,N-dimethyl-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 N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is CN(C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12.
What is the InChIKey of N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is QQNHVEPMERSUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-27(2)19(30)17-12(4-3-7-24-17)11-5-6-13-15(8-11)28(10-20(21,22)23)18(29)14-9-25-26-16(13)14/h3-9,16H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 415.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121237958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).