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

C17H22ClFN4O2 — CID 118699453

IUPACN-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
SMILESCC1(C)CCCC(CC(=O)Nc2nc3ccc(Cl)nc3n2CCF)O1
InChIInChI=1S/C17H22ClFN4O2/c1-17(2)7-3-4-11(25-17)10-14(24)22-16-20-12-5-6-13(18)21-15(12)23(16)9-8-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22,24)
InChIKeyNLJLQALQPQJXQC-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.73
Rot. Bonds5

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

N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide (PubChem CID 118699453) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
PubChem CID118699453
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC NameN-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
SMILESCC1(C)CCCC(CC(=O)Nc2nc3ccc(Cl)nc3n2CCF)O1
InChIInChI=1S/C17H22ClFN4O2/c1-17(2)7-3-4-11(25-17)10-14(24)22-16-20-12-5-6-13(18)21-15(12)23(16)9-8-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22,24)
InChIKeyNLJLQALQPQJXQC-UHFFFAOYSA-N
XLogP3.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
CID 86290824
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-(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-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(2S)-5,5-dimethyloxolan-2-yl]acetamide;methane
CID 159448450
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
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)-2-(3,3-difluorocyclobutyl)acetamide
CID 118692440
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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide?
The IUPAC name of N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide (CID 118699453) is N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide.
What is the SMILES notation for N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide?
The canonical SMILES for N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide is CC1(C)CCCC(CC(=O)Nc2nc3ccc(Cl)nc3n2CCF)O1.
What is the InChIKey of N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide?
The InChIKey is NLJLQALQPQJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4O2/c1-17(2)7-3-4-11(25-17)10-14(24)22-16-20-12-5-6-13(18)21-15(12)23(16)9-8-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22,24).
What are the key properties of N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide?
N-[5-chloro-3-(2-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide has a molecular weight of 368.84 g/mol, XLogP of 3.73, 5 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-fluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide is sourced from PubChem (CID 118699453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).