methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate

C15H13FN4O — CID 11243078

IUPACmethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/b17-14-
InChIKeyWSKGRWHECMNHBT-VKAVYKQESA-N
MW284.29 g/mol
LogP2.59
Rot. Bonds3

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

methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate (PubChem CID 11243078) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate
PubChem CID11243078
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Namemethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/b17-14-
InChIKeyWSKGRWHECMNHBT-VKAVYKQESA-N
XLogP2.59
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate?
The IUPAC name of methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate (CID 11243078) is methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate.
What is the SMILES notation for methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate?
The canonical SMILES for methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate is [H]/N=C(\OC)c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate?
The InChIKey is WSKGRWHECMNHBT-VKAVYKQESA-N. The full InChI is InChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/b17-14-.
What are the key properties of methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate?
methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate has a molecular weight of 284.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidate is sourced from PubChem (CID 11243078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).