[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate

C23H17FN6O3 — CID 171494066

IUPAC[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3conc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C23H17FN6O3/c1-13(31)32-11-14-2-5-16(6-3-14)30-22(17-12-33-29-21(17)25)28-20-9-8-19(27-23(20)30)18-7-4-15(24)10-26-18/h2-10,12H,11H2,1H3,(H2,25,29)
InChIKeyYTSNQMDMDUSFHY-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.92
Rot. Bonds5

About [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate

[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (PubChem CID 171494066) has the molecular formula C23H17FN6O3 and a molecular weight of 444.43 g/mol. Its IUPAC name is [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
PubChem CID171494066
Molecular FormulaC23H17FN6O3
Molecular Weight444.43 g/mol
Exact Mass444.13
IUPAC Name[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(-c3conc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C23H17FN6O3/c1-13(31)32-11-14-2-5-16(6-3-14)30-22(17-12-33-29-21(17)25)28-20-9-8-19(27-23(20)30)18-7-4-15(24)10-26-18/h2-10,12H,11H2,1H3,(H2,25,29)
InChIKeyYTSNQMDMDUSFHY-UHFFFAOYSA-N
XLogP3.92
TPSA121.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate 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

[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
[4-[2-(2-amino-4-fluoro-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171496453
[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171495972
3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
CID 171493880
[4-[2-(3-aminopyrazin-2-yl)-5-[6-(fluoromethoxy)-3-pyridinyl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate;ethane
CID 171496186
[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316736
[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
CID 177316714
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 177317093
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625
N-[2-[[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl-but-3-enylamino]ethyl]thiohydroxylamine
CID 177316802

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The IUPAC name of [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate (CID 171494066) is [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate.
What is the SMILES notation for [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The canonical SMILES for [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(-c3conc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1.
What is the InChIKey of [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
The InChIKey is YTSNQMDMDUSFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O3/c1-13(31)32-11-14-2-5-16(6-3-14)30-22(17-12-33-29-21(17)25)28-20-9-8-19(27-23(20)30)18-7-4-15(24)10-26-18/h2-10,12H,11H2,1H3,(H2,25,29).
What are the key properties of [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate?
[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate has a molecular weight of 444.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate is sourced from PubChem (CID 171494066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).