N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide

C15H13ClF6N4O — CID 86290778

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C15H13ClF6N4O/c16-10-5-4-8-12(24-10)26(7-2-1-3-7)13(23-8)25-11(27)6-9(14(17,18)19)15(20,21)22/h4-5,7,9H,1-3,6H2,(H,23,25,27)
InChIKeyFFJXPQBOCZINCR-UHFFFAOYSA-N
MW414.74 g/mol
LogP4.88
Rot. Bonds4

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide (PubChem CID 86290778) has the molecular formula C15H13ClF6N4O and a molecular weight of 414.74 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
PubChem CID86290778
Molecular FormulaC15H13ClF6N4O
Molecular Weight414.74 g/mol
Exact Mass414.07
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C15H13ClF6N4O/c16-10-5-4-8-12(24-10)26(7-2-1-3-7)13(23-8)25-11(27)6-9(14(17,18)19)15(20,21)22/h4-5,7,9H,1-3,6H2,(H,23,25,27)
InChIKeyFFJXPQBOCZINCR-UHFFFAOYSA-N
XLogP4.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.74
LogP ≤ 54.88
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-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide (CID 86290778) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide is O=C(CC(C(F)(F)F)C(F)(F)F)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The InChIKey is FFJXPQBOCZINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF6N4O/c16-10-5-4-8-12(24-10)26(7-2-1-3-7)13(23-8)25-11(27)6-9(14(17,18)19)15(20,21)22/h4-5,7,9H,1-3,6H2,(H,23,25,27).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide has a molecular weight of 414.74 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 86290778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).