3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine

C16H11F2N3 — CID 145023261

IUPAC3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
SMILESC#Cc1nn(Cc2ccccc2F)c2nc(C)c(F)cc12
InChIInChI=1S/C16H11F2N3/c1-3-15-12-8-14(18)10(2)19-16(12)21(20-15)9-11-6-4-5-7-13(11)17/h1,4-8H,9H2,2H3
InChIKeyWVJIXGJAAAVHAH-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.05
Rot. Bonds2

About 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine

3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine (PubChem CID 145023261) has the molecular formula C16H11F2N3 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
PubChem CID145023261
Molecular FormulaC16H11F2N3
Molecular Weight283.28 g/mol
Exact Mass283.09
IUPAC Name3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
SMILESC#Cc1nn(Cc2ccccc2F)c2nc(C)c(F)cc12
InChIInChI=1S/C16H11F2N3/c1-3-15-12-8-14(18)10(2)19-16(12)21(20-15)9-11-6-4-5-7-13(11)17/h1,4-8H,9H2,2H3
InChIKeyWVJIXGJAAAVHAH-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
CID 135270578
1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449115
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
1-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 118697584
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 118233431
2-[3-(5-fluoro-4-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
CID 145046968
5-amino-1-[(2-fluorophenyl)methyl]-4-isocyanopyrazole-3-carbonitrile
CID 59139554
1-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 17379899

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine (CID 145023261) is 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine is C#Cc1nn(Cc2ccccc2F)c2nc(C)c(F)cc12.
What is the InChIKey of 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine?
The InChIKey is WVJIXGJAAAVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3/c1-3-15-12-8-14(18)10(2)19-16(12)21(20-15)9-11-6-4-5-7-13(11)17/h1,4-8H,9H2,2H3.
What are the key properties of 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine?
3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine has a molecular weight of 283.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 145023261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).