N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide

C17H14ClF3N4O2 — CID 130361366

IUPACN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
SMILESO=C(CC(O)(CF)CF)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClF3N4O2/c18-13-6-5-12-15(23-13)25(11-3-1-10(21)2-4-11)16(22-12)24-14(26)7-17(27,8-19)9-20/h1-6,27H,7-9H2,(H,22,24,26)
InChIKeyXARXNVILCZDVIZ-UHFFFAOYSA-N
MW398.77 g/mol
LogP3.21
Rot. Bonds6

About N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide (PubChem CID 130361366) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
PubChem CID130361366
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
SMILESO=C(CC(O)(CF)CF)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClF3N4O2/c18-13-6-5-12-15(23-13)25(11-3-1-10(21)2-4-11)16(22-12)24-14(26)7-17(27,8-19)9-20/h1-6,27H,7-9H2,(H,22,24,26)
InChIKeyXARXNVILCZDVIZ-UHFFFAOYSA-N
XLogP3.21
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-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 N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
The IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide (CID 130361366) is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide.
What is the SMILES notation for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
The canonical SMILES for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide is O=C(CC(O)(CF)CF)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
The InChIKey is XARXNVILCZDVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c18-13-6-5-12-15(23-13)25(11-3-1-10(21)2-4-11)16(22-12)24-14(26)7-17(27,8-19)9-20/h1-6,27H,7-9H2,(H,22,24,26).
What are the key properties of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide?
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide has a molecular weight of 398.77 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide is sourced from PubChem (CID 130361366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).