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

C15H14F6N4O2 — CID 130361161

IUPAC(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILESO=C(C[C@H](O)C(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C15H14F6N4O2/c16-14(17,18)9-5-4-8-12(23-9)25(7-2-1-3-7)13(22-8)24-11(27)6-10(26)15(19,20)21/h4-5,7,10,26H,1-3,6H2,(H,22,24,27)/t10-/m0/s1
InChIKeyMIYOAUPHQLEZIV-JTQLQIEISA-N
MW396.29 g/mol
LogP3.43
Rot. Bonds4

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

(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide (PubChem CID 130361161) has the molecular formula C15H14F6N4O2 and a molecular weight of 396.29 g/mol. Its IUPAC name is (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide
PubChem CID130361161
Molecular FormulaC15H14F6N4O2
Molecular Weight396.29 g/mol
Exact Mass396.10
IUPAC Name(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILESO=C(C[C@H](O)C(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C15H14F6N4O2/c16-14(17,18)9-5-4-8-12(23-9)25(7-2-1-3-7)13(22-8)24-11(27)6-10(26)15(19,20)21/h4-5,7,10,26H,1-3,6H2,(H,22,24,27)/t10-/m0/s1
InChIKeyMIYOAUPHQLEZIV-JTQLQIEISA-N
XLogP3.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
The IUPAC name of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide (CID 130361161) is (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide.
What is the SMILES notation for (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
The canonical SMILES for (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide is O=C(C[C@H](O)C(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
The InChIKey is MIYOAUPHQLEZIV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14F6N4O2/c16-14(17,18)9-5-4-8-12(23-9)25(7-2-1-3-7)13(22-8)24-11(27)6-10(26)15(19,20)21/h4-5,7,10,26H,1-3,6H2,(H,22,24,27)/t10-/m0/s1.
What are the key properties of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide has a molecular weight of 396.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide is sourced from PubChem (CID 130361161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).