ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine

C17H20FN3 — CID 142348087

IUPACethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
SMILESCC.Cc1ccc2c(C)nn(Cc3ccccc3F)c2n1
InChIInChI=1S/C15H14FN3.C2H6/c1-10-7-8-13-11(2)18-19(15(13)17-10)9-12-5-3-4-6-14(12)16;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyZNTJAWUGJIQOHS-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.26
Rot. Bonds2

About ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine

ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 142348087) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
PubChem CID142348087
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Nameethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
SMILESCC.Cc1ccc2c(C)nn(Cc3ccccc3F)c2n1
InChIInChI=1S/C15H14FN3.C2H6/c1-10-7-8-13-11(2)18-19(15(13)17-10)9-12-5-3-4-6-14(12)16;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyZNTJAWUGJIQOHS-UHFFFAOYSA-N
XLogP4.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 90122617
3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
CID 145023261
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
CID 177008769
1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449115
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
CID 22206180
1-[2-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 118697584
1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
CID 135270578
1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine (CID 142348087) is ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine is CC.Cc1ccc2c(C)nn(Cc3ccccc3F)c2n1.
What is the InChIKey of ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is ZNTJAWUGJIQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3.C2H6/c1-10-7-8-13-11(2)18-19(15(13)17-10)9-12-5-3-4-6-14(12)16;1-2/h3-8H,9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine?
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 285.37 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 142348087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).