N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide

C15H17F3N4O — CID 86290310

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C15H17F3N4O/c1-8(2)13(23)21-14-19-10-6-7-11(15(16,17)18)20-12(10)22(14)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,19,21,23)
InChIKeyJMHDFJIUGYMFGW-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.77
Rot. Bonds3

About N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide (PubChem CID 86290310) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide
PubChem CID86290310
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C15H17F3N4O/c1-8(2)13(23)21-14-19-10-6-7-11(15(16,17)18)20-12(10)22(14)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,19,21,23)
InChIKeyJMHDFJIUGYMFGW-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide (CID 86290310) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide?
The InChIKey is JMHDFJIUGYMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-8(2)13(23)21-14-19-10-6-7-11(15(16,17)18)20-12(10)22(14)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,19,21,23).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide has a molecular weight of 326.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 86290310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).