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

C20H19F3N4O — CID 86290352

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)16-11-10-15-18(25-16)27(14-7-4-8-14)19(24-15)26-17(28)12-9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,24,26,28)
InChIKeyXBNOTBJRHVFZPZ-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.75
Rot. Bonds5

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide (PubChem CID 86290352) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
PubChem CID86290352
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)16-11-10-15-18(25-16)27(14-7-4-8-14)19(24-15)26-17(28)12-9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,24,26,28)
InChIKeyXBNOTBJRHVFZPZ-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.75
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]-3-phenylpropanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide (CID 86290352) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
The InChIKey is XBNOTBJRHVFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)16-11-10-15-18(25-16)27(14-7-4-8-14)19(24-15)26-17(28)12-9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,24,26,28).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide has a molecular weight of 388.39 g/mol, XLogP of 4.75, 5 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]-3-phenylpropanamide is sourced from PubChem (CID 86290352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).