5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride

C14H12ClF2N5 — CID 86686151

IUPAC5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncc(F)cc12
InChIInChI=1S/C14H11F2N5.ClH/c15-9-5-10-12(13(17)18)20-21(14(10)19-6-9)7-8-3-1-2-4-11(8)16;/h1-6H,7H2,(H3,17,18);1H
InChIKeySAYWMFNKUAMSSN-UHFFFAOYSA-N
MW323.73 g/mol
LogP2.46
Rot. Bonds3

About 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride

5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride (PubChem CID 86686151) has the molecular formula C14H12ClF2N5 and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
PubChem CID86686151
Molecular FormulaC14H12ClF2N5
Molecular Weight323.73 g/mol
Exact Mass323.07
IUPAC Name5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncc(F)cc12
InChIInChI=1S/C14H11F2N5.ClH/c15-9-5-10-12(13(17)18)20-21(14(10)19-6-9)7-8-3-1-2-4-11(8)16;/h1-6H,7H2,(H3,17,18);1H
InChIKeySAYWMFNKUAMSSN-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

1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
CID 169021002
4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
CID 159463183
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
propyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 56849012
5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86715168
2-[[amino-[1-[(2,3-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]acetic acid
CID 71285654
4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;methane;methyl 3-cyano-3-isocyano-2,2-dimethylpropanoate
CID 159529398
4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;methyl 2-[cyano(isocyano)methyl]-3,3,3-trifluoro-2-methylpropanoate
CID 158905991
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 134313590
[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-methylcarbamic acid;hydrochloride
CID 66682905
methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 66634902
5-[(3Z)-4-aminooxybuta-1,3-dien-2-yl]-1-[(2-fluorophenyl)methyl]pyrazole-3-carboximidamide
CID 87527800

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride (CID 86686151) is 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncc(F)cc12.
What is the InChIKey of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride?
The InChIKey is SAYWMFNKUAMSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5.ClH/c15-9-5-10-12(13(17)18)20-21(14(10)19-6-9)7-8-3-1-2-4-11(8)16;/h1-6H,7H2,(H3,17,18);1H.
What are the key properties of 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride?
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-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 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 86686151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).