3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one

C23H26F3N3O — CID 153345635

IUPAC3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one
SMILESCCC(=O)C(C)c1ccccc1.Cc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C12H12F3N3.C11H14O/c1-7-16-9-5-6-10(12(13,14)15)17-11(9)18(7)8-3-2-4-8;1-3-11(12)9(2)10-7-5-4-6-8-10/h5-6,8H,2-4H2,1H3;4-9H,3H2,1-2H3
InChIKeyJDAFXDCCBPPTTM-UHFFFAOYSA-N
MW417.48 g/mol
LogP6.25
Rot. Bonds4

About 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one

3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one (PubChem CID 153345635) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one.

Molecular Properties

Compound Name3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one
PubChem CID153345635
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one
SMILESCCC(=O)C(C)c1ccccc1.Cc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C12H12F3N3.C11H14O/c1-7-16-9-5-6-10(12(13,14)15)17-11(9)18(7)8-3-2-4-8;1-3-11(12)9(2)10-7-5-4-6-8-10/h5-6,8H,2-4H2,1H3;4-9H,3H2,1-2H3
InChIKeyJDAFXDCCBPPTTM-UHFFFAOYSA-N
XLogP6.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;ethane;6-fluoro-5-hydroxy-5-phenylhexan-3-one
CID 153346167
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
CID 130361317
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide
CID 130361161
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 90447971
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-cyclohexylacetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-methylpropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-phenoxyacetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-phenylpropanamide;N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide
CID 159394309
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanethioamide
CID 139518358
(2R)-8-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopropyl-2-hydroxyoctan-4-one
CID 139518317
2-(2-bicyclo[3.1.1]heptanyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]acetamide
CID 123988143
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide
CID 167288247
6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole
CID 170981842
N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide
CID 130359835

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one?
The IUPAC name of 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one (CID 153345635) is 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one.
What is the SMILES notation for 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one?
The canonical SMILES for 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one is CCC(=O)C(C)c1ccccc1.Cc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one?
The InChIKey is JDAFXDCCBPPTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3.C11H14O/c1-7-16-9-5-6-10(12(13,14)15)17-11(9)18(7)8-3-2-4-8;1-3-11(12)9(2)10-7-5-4-6-8-10/h5-6,8H,2-4H2,1H3;4-9H,3H2,1-2H3.
What are the key properties of 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one?
3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one has a molecular weight of 417.48 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one is sourced from PubChem (CID 153345635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).