N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C14H16ClF3N4O — CID 90447850

IUPACN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F
InChIInChI=1S/C14H16ClF3N4O/c1-13(2,3)6-10(23)21-12-19-8-4-5-9(15)20-11(8)22(12)7-14(16,17)18/h4-5H,6-7H2,1-3H3,(H,19,21,23)
InChIKeyFROYWASDVIFGDY-UHFFFAOYSA-N
MW348.76 g/mol
LogP4.02
Rot. Bonds3

About N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 90447850) has the molecular formula C14H16ClF3N4O and a molecular weight of 348.76 g/mol. Its IUPAC name is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID90447850
Molecular FormulaC14H16ClF3N4O
Molecular Weight348.76 g/mol
Exact Mass348.10
IUPAC NameN-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F
InChIInChI=1S/C14H16ClF3N4O/c1-13(2,3)6-10(23)21-12-19-8-4-5-9(15)20-11(8)22(12)7-14(16,17)18/h4-5H,6-7H2,1-3H3,(H,19,21,23)
InChIKeyFROYWASDVIFGDY-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 90447850) is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.
What is the InChIKey of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is FROYWASDVIFGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O/c1-13(2,3)6-10(23)21-12-19-8-4-5-9(15)20-11(8)22(12)7-14(16,17)18/h4-5H,6-7H2,1-3H3,(H,19,21,23).
What are the key properties of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 348.76 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 90447850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).