4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride

C14H12ClF2N5 — CID 159463183

IUPAC4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2nccc(F)c12
InChIInChI=1S/C14H11F2N5.ClH/c15-9-4-2-1-3-8(9)7-21-14-11(10(16)5-6-19-14)12(20-21)13(17)18;/h1-6H,7H2,(H3,17,18);1H
InChIKeyBMFIYEKGDDEDIP-UHFFFAOYSA-N
MW323.73 g/mol
LogP2.46
Rot. Bonds3

About 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride

4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride (PubChem CID 159463183) has the molecular formula C14H12ClF2N5 and a molecular weight of 323.73 g/mol. Its IUPAC name is 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
PubChem CID159463183
Molecular FormulaC14H12ClF2N5
Molecular Weight323.73 g/mol
Exact Mass323.07
IUPAC Name4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2nccc(F)c12
InChIInChI=1S/C14H11F2N5.ClH/c15-9-4-2-1-3-8(9)7-21-14-11(10(16)5-6-19-14)12(20-21)13(17)18;/h1-6H,7H2,(H3,17,18);1H
InChIKeyBMFIYEKGDDEDIP-UHFFFAOYSA-N
XLogP2.46
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
3,4-difluoropyridine-2-carboximidamide
CID 137371718
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
5-[(3Z)-4-aminooxybuta-1,3-dien-2-yl]-1-[(2-fluorophenyl)methyl]pyrazole-3-carboximidamide
CID 87527800
1-[(2-fluorophenyl)methyl]-5-pentoxypyrazole-3-carboximidamide
CID 135161179
1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide
CID 118962253
1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
CID 169021002
3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide
CID 173100067
1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86679010
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 66655946
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 123648665

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride (CID 159463183) is 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2nccc(F)c12.
What is the InChIKey of 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride?
The InChIKey is BMFIYEKGDDEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5.ClH/c15-9-4-2-1-3-8(9)7-21-14-11(10(16)5-6-19-14)12(20-21)13(17)18;/h1-6H,7H2,(H3,17,18);1H.
What are the key properties of 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride?
4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride has a molecular weight of 323.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 159463183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).