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

C20H19F3N4O — CID 86290307

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1ccccc1
InChIInChI=1S/C20H19F3N4O/c1-12(13-6-3-2-4-7-13)18(28)26-19-24-15-10-11-16(20(21,22)23)25-17(15)27(19)14-8-5-9-14/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,24,26,28)
InChIKeyGNMLRGNHDURDMU-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.92
Rot. Bonds4

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide (PubChem CID 86290307) 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]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide
PubChem CID86290307
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1ccccc1
InChIInChI=1S/C20H19F3N4O/c1-12(13-6-3-2-4-7-13)18(28)26-19-24-15-10-11-16(20(21,22)23)25-17(15)27(19)14-8-5-9-14/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,24,26,28)
InChIKeyGNMLRGNHDURDMU-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.92
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-phenylpropanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide (CID 86290307) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide is CC(C(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1ccccc1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide?
The InChIKey is GNMLRGNHDURDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-12(13-6-3-2-4-7-13)18(28)26-19-24-15-10-11-16(20(21,22)23)25-17(15)27(19)14-8-5-9-14/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,24,26,28).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-phenylpropanamide has a molecular weight of 388.39 g/mol, XLogP of 4.92, 4 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-phenylpropanamide is sourced from PubChem (CID 86290307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).