8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one

C23H28F5N3O2 — CID 139518484

IUPAC8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one
SMILESO=C(CCCCc1nc2cc(C3CC3)c(C(F)(F)F)nc2n1C1CCC1)CC(O)(CF)CF
InChIInChI=1S/C23H28F5N3O2/c24-12-22(33,13-25)11-16(32)6-1-2-7-19-29-18-10-17(14-8-9-14)20(23(26,27)28)30-21(18)31(19)15-4-3-5-15/h10,14-15,33H,1-9,11-13H2
InChIKeyDQFFBUJDTOPNHC-UHFFFAOYSA-N
MW473.49 g/mol
LogP5.39
Rot. Bonds11

About 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one

8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one (PubChem CID 139518484) has the molecular formula C23H28F5N3O2 and a molecular weight of 473.49 g/mol. Its IUPAC name is 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one.

Molecular Properties

Compound Name8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one
PubChem CID139518484
Molecular FormulaC23H28F5N3O2
Molecular Weight473.49 g/mol
Exact Mass473.21
IUPAC Name8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one
SMILESO=C(CCCCc1nc2cc(C3CC3)c(C(F)(F)F)nc2n1C1CCC1)CC(O)(CF)CF
InChIInChI=1S/C23H28F5N3O2/c24-12-22(33,13-25)11-16(32)6-1-2-7-19-29-18-10-17(14-8-9-14)20(23(26,27)28)30-21(18)31(19)15-4-3-5-15/h10,14-15,33H,1-9,11-13H2
InChIKeyDQFFBUJDTOPNHC-UHFFFAOYSA-N
XLogP5.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one
CID 139518479
3-cyclobutyl-5-cyclopropyl-2-[8-fluoro-7-(fluoromethyl)-7-hydroxy-5-oxooctyl]benzimidazole-4-carbonitrile
CID 139518476
(2R)-8-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-cyclopropyl-2-hydroxyoctan-4-one
CID 139518317
(2S)-8-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-hydroxy-2-phenyloctan-4-one
CID 153346064
8-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)-7-methylbenzimidazol-2-yl]-2,2-dimethyloctan-4-one
CID 139518222
3-cyclobutyl-2-(7-hydroxy-5-oxo-7-phenyloctyl)imidazo[4,5-b]pyridine-5-carbonitrile
CID 139518177
8-(5-chloro-3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-2-hydroxy-2-methyloctan-4-one
CID 139518269
8-[1-cyclobutyl-5-methoxy-6-(trifluoromethyl)benzimidazol-2-yl]-2-hydroxy-2-phenyloctan-4-one
CID 139518576
1-[1-cyclobutyl-7-(trifluoromethoxy)benzimidazol-2-yl]-6-hydroxy-6-methylheptan-4-one
CID 139518094
8-(5-chloro-3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)-2-hydroxy-2-phenyloctan-4-one
CID 139518194
2-cyclopropyl-8-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2-methyloctan-4-one
CID 139518442
5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one
CID 139518355

Frequently Asked Questions

What is the IUPAC name of 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one?
The IUPAC name of 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one (CID 139518484) is 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one.
What is the SMILES notation for 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one?
The canonical SMILES for 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one is O=C(CCCCc1nc2cc(C3CC3)c(C(F)(F)F)nc2n1C1CCC1)CC(O)(CF)CF.
What is the InChIKey of 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one?
The InChIKey is DQFFBUJDTOPNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F5N3O2/c24-12-22(33,13-25)11-16(32)6-1-2-7-19-29-18-10-17(14-8-9-14)20(23(26,27)28)30-21(18)31(19)15-4-3-5-15/h10,14-15,33H,1-9,11-13H2.
What are the key properties of 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one?
8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one has a molecular weight of 473.49 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-cyclobutyl-6-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one is sourced from PubChem (CID 139518484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).