[2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid

C18H14BFN4O3 — CID 142791607

IUPAC[2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid
SMILESCn1cc(-c2cnc3nc(-c4ccccc4F)cc(OB(O)O)c3c2)cn1
InChIInChI=1S/C18H14BFN4O3/c1-24-10-12(9-22-24)11-6-14-17(27-19(25)26)7-16(23-18(14)21-8-11)13-4-2-3-5-15(13)20/h2-10,25-26H,1H3
InChIKeyZXBMRWQNOOLLGT-UHFFFAOYSA-N
MW364.15 g/mol
LogP2.18
Rot. Bonds4

About [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid

[2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid (PubChem CID 142791607) has the molecular formula C18H14BFN4O3 and a molecular weight of 364.15 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid
PubChem CID142791607
Molecular FormulaC18H14BFN4O3
Molecular Weight364.15 g/mol
Exact Mass364.11
IUPAC Name[2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid
SMILESCn1cc(-c2cnc3nc(-c4ccccc4F)cc(OB(O)O)c3c2)cn1
InChIInChI=1S/C18H14BFN4O3/c1-24-10-12(9-22-24)11-6-14-17(27-19(25)26)7-16(23-18(14)21-8-11)13-4-2-3-5-15(13)20/h2-10,25-26H,1H3
InChIKeyZXBMRWQNOOLLGT-UHFFFAOYSA-N
XLogP2.18
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(6-oxido-2,6-naphthyridin-6-ium-1-yl)-1,8-naphthyridine
CID 66632110
4-N-(2-fluorophenyl)-4-N-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335274
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
4-(2-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936775
2-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]isoindole-1,3-dione
CID 141370379
3-[(1R)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 54597313
[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
CID 130118340
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
3-(5-chloro-8-fluoroisoquinolin-3-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 67520624
3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)
CID 158975752
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297
3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol
CID 56597335

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid?
The IUPAC name of [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid (CID 142791607) is [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid.
What is the SMILES notation for [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid?
The canonical SMILES for [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid is Cn1cc(-c2cnc3nc(-c4ccccc4F)cc(OB(O)O)c3c2)cn1.
What is the InChIKey of [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid?
The InChIKey is ZXBMRWQNOOLLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BFN4O3/c1-24-10-12(9-22-24)11-6-14-17(27-19(25)26)7-16(23-18(14)21-8-11)13-4-2-3-5-15(13)20/h2-10,25-26H,1H3.
What are the key properties of [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid?
[2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid has a molecular weight of 364.15 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-6-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-yl]oxyboronic acid is sourced from PubChem (CID 142791607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).