1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide

C15H14FN5O — CID 136639808

IUPAC1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESCc1cccc(Cn2nc(C(N)=NO)c3cccnc32)c1F
InChIInChI=1S/C15H14FN5O/c1-9-4-2-5-10(12(9)16)8-21-15-11(6-3-7-18-15)13(19-21)14(17)20-22/h2-7,22H,8H2,1H3,(H2,17,20)
InChIKeyIXOBWZCCKZXIKU-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.02
Rot. Bonds3

About 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide

1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 136639808) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID136639808
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESCc1cccc(Cn2nc(C(N)=NO)c3cccnc32)c1F
InChIInChI=1S/C15H14FN5O/c1-9-4-2-5-10(12(9)16)8-21-15-11(6-3-7-18-15)13(19-21)14(17)20-22/h2-7,22H,8H2,1H3,(H2,17,20)
InChIKeyIXOBWZCCKZXIKU-UHFFFAOYSA-N
XLogP2.02
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide (CID 136639808) is 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide is Cc1cccc(Cn2nc(C(N)=NO)c3cccnc32)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is IXOBWZCCKZXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-9-4-2-5-10(12(9)16)8-21-15-11(6-3-7-18-15)13(19-21)14(17)20-22/h2-7,22H,8H2,1H3,(H2,17,20).
What are the key properties of 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide?
1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 299.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 136639808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).