N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

C22H18ClFN4O2 — CID 137393658

IUPACN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18ClFN4O2/c1-22(30,14-5-3-2-4-6-14)13-19(29)27-21-25-17-11-12-18(23)26-20(17)28(21)16-9-7-15(24)8-10-16/h2-12,30H,13H2,1H3,(H,25,27,29)
InChIKeyOONPADOWOUZJBD-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.45
Rot. Bonds5

About N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (PubChem CID 137393658) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
PubChem CID137393658
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H18ClFN4O2/c1-22(30,14-5-3-2-4-6-14)13-19(29)27-21-25-17-11-12-18(23)26-20(17)28(21)16-9-7-15(24)8-10-16/h2-12,30H,13H2,1H3,(H,25,27,29)
InChIKeyOONPADOWOUZJBD-UHFFFAOYSA-N
XLogP4.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
CID 130361366
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361339
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359666
N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 157258571
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 158987889
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692616
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-methoxy-3-methylbutanamide
CID 118692496
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
CID 130359679

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (CID 137393658) is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is OONPADOWOUZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-22(30,14-5-3-2-4-6-14)13-19(29)27-21-25-17-11-12-18(23)26-20(17)28(21)16-9-7-15(24)8-10-16/h2-12,30H,13H2,1H3,(H,25,27,29).
What are the key properties of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 424.86 g/mol, XLogP of 4.45, 5 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]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 137393658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).