N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C15H16ClF3N4O2 — CID 90447795

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C15H16ClF3N4O2/c16-11-5-4-10-13(21-11)23(9-2-1-3-9)14(20-10)22-12(24)6-7-25-8-15(17,18)19/h4-5,9H,1-3,6-8H2,(H,20,22,24)
InChIKeyXJSIQEIDGOIPHE-UHFFFAOYSA-N
MW376.77 g/mol
LogP3.72
Rot. Bonds6

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 90447795) has the molecular formula C15H16ClF3N4O2 and a molecular weight of 376.77 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID90447795
Molecular FormulaC15H16ClF3N4O2
Molecular Weight376.77 g/mol
Exact Mass376.09
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C15H16ClF3N4O2/c16-11-5-4-10-13(21-11)23(9-2-1-3-9)14(20-10)22-12(24)6-7-25-8-15(17,18)19/h4-5,9H,1-3,6-8H2,(H,20,22,24)
InChIKeyXJSIQEIDGOIPHE-UHFFFAOYSA-N
XLogP3.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 90447795) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is XJSIQEIDGOIPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O2/c16-11-5-4-10-13(21-11)23(9-2-1-3-9)14(20-10)22-12(24)6-7-25-8-15(17,18)19/h4-5,9H,1-3,6-8H2,(H,20,22,24).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 376.77 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 90447795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).