N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide

C17H20ClF3N4O2 — CID 118692485

IUPACN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC1(C)CCC[C@@H](CC(=O)Nc2nc3ccc(Cl)nc3n2CC(F)(F)F)O1
InChIInChI=1S/C17H20ClF3N4O2/c1-16(2)7-3-4-10(27-16)8-13(26)24-15-22-11-5-6-12(18)23-14(11)25(15)9-17(19,20)21/h5-6,10H,3-4,7-9H2,1-2H3,(H,22,24,26)/t10-/m0/s1
InChIKeyBOTJOYXLXIWSCD-JTQLQIEISA-N
MW404.82 g/mol
LogP4.32
Rot. Bonds4

About N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide

N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide (PubChem CID 118692485) has the molecular formula C17H20ClF3N4O2 and a molecular weight of 404.82 g/mol. Its IUPAC name is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
PubChem CID118692485
Molecular FormulaC17H20ClF3N4O2
Molecular Weight404.82 g/mol
Exact Mass404.12
IUPAC NameN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC1(C)CCC[C@@H](CC(=O)Nc2nc3ccc(Cl)nc3n2CC(F)(F)F)O1
InChIInChI=1S/C17H20ClF3N4O2/c1-16(2)7-3-4-10(27-16)8-13(26)24-15-22-11-5-6-12(18)23-14(11)25(15)9-17(19,20)21/h5-6,10H,3-4,7-9H2,1-2H3,(H,22,24,26)/t10-/m0/s1
InChIKeyBOTJOYXLXIWSCD-JTQLQIEISA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118699453
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118692535
N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118692549
N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
CID 129141383
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
CID 86290824
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692616
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692520
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
CID 159448450
N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide;N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]-3-[(2-methylpropan-2-yl)oxy]propanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-propan-2-yloxypropanamide
CID 159245965
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethyloxan-4-yl)acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(6,6-dimethyloxan-2-yl)acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(5,5-dimethyloxolan-2-yl)acetamide;N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 160566562
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 118692440

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide (CID 118692485) is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide.
What is the SMILES notation for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The canonical SMILES for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide is CC1(C)CCC[C@@H](CC(=O)Nc2nc3ccc(Cl)nc3n2CC(F)(F)F)O1.
What is the InChIKey of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The InChIKey is BOTJOYXLXIWSCD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20ClF3N4O2/c1-16(2)7-3-4-10(27-16)8-13(26)24-15-22-11-5-6-12(18)23-14(11)25(15)9-17(19,20)21/h5-6,10H,3-4,7-9H2,1-2H3,(H,22,24,26)/t10-/m0/s1.
What are the key properties of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide has a molecular weight of 404.82 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide is sourced from PubChem (CID 118692485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).