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

C15H11FN4 — CID 135270578

IUPAC1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCc1cnc2c(c1)c(C#N)nn2Cc1ccccc1F
InChIInChI=1S/C15H11FN4/c1-10-6-12-14(7-17)19-20(15(12)18-8-10)9-11-4-2-3-5-13(11)16/h2-6,8H,9H2,1H3
InChIKeyIQMJBIXQMNWRDS-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.80
Rot. Bonds2

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

1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 135270578) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID135270578
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCc1cnc2c(c1)c(C#N)nn2Cc1ccccc1F
InChIInChI=1S/C15H11FN4/c1-10-6-12-14(7-17)19-20(15(12)18-8-10)9-11-4-2-3-5-13(11)16/h2-6,8H,9H2,1H3
InChIKeyIQMJBIXQMNWRDS-UHFFFAOYSA-N
XLogP2.80
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethynyl-5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridine
CID 145023261
3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 163564236
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
ethane;5-fluoro-1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 144540735
5-amino-1-[(2-fluorophenyl)methyl]-4-isocyanopyrazole-3-carbonitrile
CID 59139554
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 134313590
propyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 56849012
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
CID 68642170
2-amino-9-[(2-fluorophenyl)methyl]purine-6-carbonitrile
CID 68575148

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile (CID 135270578) is 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile is Cc1cnc2c(c1)c(C#N)nn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is IQMJBIXQMNWRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c1-10-6-12-14(7-17)19-20(15(12)18-8-10)9-11-4-2-3-5-13(11)16/h2-6,8H,9H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile?
1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 266.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 135270578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).