1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine

C15H13FN4 — CID 142142282

IUPAC1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
SMILESC/N=C/c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C15H13FN4/c1-17-9-14-12-6-4-8-18-15(12)20(19-14)10-11-5-2-3-7-13(11)16/h2-9H,10H2,1H3/b17-9+
InChIKeyAAGVITKUWDZYIL-RQZCQDPDSA-N
MW268.30 g/mol
LogP2.67
Rot. Bonds3

About 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine

1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine (PubChem CID 142142282) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
PubChem CID142142282
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
SMILESC/N=C/c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C15H13FN4/c1-17-9-14-12-6-4-8-18-15(12)20(19-14)10-11-5-2-3-7-13(11)16/h2-9H,10H2,1H3/b17-9+
InChIKeyAAGVITKUWDZYIL-RQZCQDPDSA-N
XLogP2.67
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
CID 157406847
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
CID 130229228
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
CID 135882265
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidine-2,4,5-triamine
CID 137103346
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
3-(1-fluoroethyl)-6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrazin-2-amine
CID 151866830
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 157098050
5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 163681818

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine (CID 142142282) is 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine is C/N=C/c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine?
The InChIKey is AAGVITKUWDZYIL-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13FN4/c1-17-9-14-12-6-4-8-18-15(12)20(19-14)10-11-5-2-3-7-13(11)16/h2-9H,10H2,1H3/b17-9+.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine?
1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine has a molecular weight of 268.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine is sourced from PubChem (CID 142142282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).