[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

C23H17FN6O2 — CID 177317093

IUPAC[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILES[H]/N=c1/c(-c2nc3ccc(-c4ccc(F)cn4)nc3n2-c2ccc(CO)cc2)cccn1O
InChIInChI=1S/C23H17FN6O2/c24-15-5-8-18(26-12-15)19-9-10-20-23(27-19)30(16-6-3-14(13-31)4-7-16)22(28-20)17-2-1-11-29(32)21(17)25/h1-12,25,31-32H,13H2/b25-21-
InChIKeyOUMUDLPIMVBGDE-DAFNUICNSA-N
MW428.43 g/mol
LogP3.30
Rot. Bonds4

About [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 177317093) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
PubChem CID177317093
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Name[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
SMILES[H]/N=c1/c(-c2nc3ccc(-c4ccc(F)cn4)nc3n2-c2ccc(CO)cc2)cccn1O
InChIInChI=1S/C23H17FN6O2/c24-15-5-8-18(26-12-15)19-9-10-20-23(27-19)30(16-6-3-14(13-31)4-7-16)22(28-20)17-2-1-11-29(32)21(17)25/h1-12,25,31-32H,13H2/b25-21-
InChIKeyOUMUDLPIMVBGDE-DAFNUICNSA-N
XLogP3.30
TPSA112.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
3-[5-(5-fluoro-2-pyridinyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]-1-hydroxypyridin-1-ium-2-amine
CID 177316714
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
[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
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
3-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoropyridin-2-amine
CID 171493880
[4-[2-(2-amino-3-pyridinyl)-5-[2-(fluoromethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495487
[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495357
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
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-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 177317093) is [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is [H]/N=c1/c(-c2nc3ccc(-c4ccc(F)cn4)nc3n2-c2ccc(CO)cc2)cccn1O.
What is the InChIKey of [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
The InChIKey is OUMUDLPIMVBGDE-DAFNUICNSA-N. The full InChI is InChI=1S/C23H17FN6O2/c24-15-5-8-18(26-12-15)19-9-10-20-23(27-19)30(16-6-3-14(13-31)4-7-16)22(28-20)17-2-1-11-29(32)21(17)25/h1-12,25,31-32H,13H2/b25-21-.
What are the key properties of [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?
[4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 428.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-fluoro-2-pyridinyl)-2-(1-hydroxy-2-imino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 177317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).