3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine

C23H18FN6O+ — CID 177316714

IUPAC3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
SMILESCc1ccc(-n2c(-c3ccc[n+](O)c3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C23H17FN6O/c1-14-4-7-16(8-5-14)30-22(17-3-2-12-29(31)21(17)25)28-20-11-10-19(27-23(20)30)18-9-6-15(24)13-26-18/h2-13,25,31H,1H3/p+1
InChIKeyNUVHWDXKJAJWRT-UHFFFAOYSA-O
MW413.44 g/mol
LogP3.70
Rot. Bonds3

About 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine

3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine (PubChem CID 177316714) has the molecular formula C23H18FN6O+ and a molecular weight of 413.44 g/mol. Its IUPAC name is 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine.

Molecular Properties

Compound Name3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
PubChem CID177316714
Molecular FormulaC23H18FN6O+
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
SMILESCc1ccc(-n2c(-c3ccc[n+](O)c3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C23H17FN6O/c1-14-4-7-16(8-5-14)30-22(17-3-2-12-29(31)21(17)25)28-20-11-10-19(27-23(20)30)18-9-6-15(24)13-26-18/h2-13,25,31H,1H3/p+1
InChIKeyNUVHWDXKJAJWRT-UHFFFAOYSA-O
XLogP3.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine 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-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
CID 171493880
[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 177317093
[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
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731
3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171494402
[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
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
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625
3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine?
The IUPAC name of 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine (CID 177316714) is 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine.
What is the SMILES notation for 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine?
The canonical SMILES for 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine is Cc1ccc(-n2c(-c3ccc[n+](O)c3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1.
What is the InChIKey of 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine?
The InChIKey is NUVHWDXKJAJWRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H17FN6O/c1-14-4-7-16(8-5-14)30-22(17-3-2-12-29(31)21(17)25)28-20-11-10-19(27-23(20)30)18-9-6-15(24)13-26-18/h2-13,25,31H,1H3/p+1.
What are the key properties of 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine?
3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine has a molecular weight of 413.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine is sourced from PubChem (CID 177316714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).