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

C17H19F2N3 — CID 144540735

IUPACethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCC.Cc1nc2c(cc1F)c(C)nn2Cc1ccccc1F
InChIInChI=1S/C15H13F2N3.C2H6/c1-9-12-7-14(17)10(2)18-15(12)20(19-9)8-11-5-3-4-6-13(11)16;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyTZUGZCXIXCCXOV-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.40
Rot. Bonds2

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

ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 144540735) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
PubChem CID144540735
Molecular FormulaC17H19F2N3
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCC.Cc1nc2c(cc1F)c(C)nn2Cc1ccccc1F
InChIInChI=1S/C15H13F2N3.C2H6/c1-9-12-7-14(17)10(2)18-15(12)20(19-9)8-11-5-3-4-6-13(11)16;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyTZUGZCXIXCCXOV-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
CID 145023261
1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449115
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
CID 135270578
3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 163564236
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
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
2-[3-(5-fluoro-4-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
CID 145046968
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine (CID 144540735) is ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine is CC.Cc1nc2c(cc1F)c(C)nn2Cc1ccccc1F.
What is the InChIKey of ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is TZUGZCXIXCCXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3.C2H6/c1-9-12-7-14(17)10(2)18-15(12)20(19-9)8-11-5-3-4-6-13(11)16;1-2/h3-7H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine?
ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 303.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 144540735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).