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

C15H11F2N3O2 — CID 56849010

IUPACmethyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccccc2F)c2ncc(F)cc12
InChIInChI=1S/C15H11F2N3O2/c1-22-15(21)13-11-6-10(16)7-18-14(11)20(19-13)8-9-4-2-3-5-12(9)17/h2-7H,8H2,1H3
InChIKeyFLHMIRQNRXHXPM-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.54
Rot. Bonds3

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

methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 56849010) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID56849010
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Namemethyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccccc2F)c2ncc(F)cc12
InChIInChI=1S/C15H11F2N3O2/c1-22-15(21)13-11-6-10(16)7-18-14(11)20(19-13)8-9-4-2-3-5-12(9)17/h2-7H,8H2,1H3
InChIKeyFLHMIRQNRXHXPM-UHFFFAOYSA-N
XLogP2.54
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (CID 56849010) is methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1nn(Cc2ccccc2F)c2ncc(F)cc12.
What is the InChIKey of methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is FLHMIRQNRXHXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-22-15(21)13-11-6-10(16)7-18-14(11)20(19-13)8-9-4-2-3-5-12(9)17/h2-7H,8H2,1H3.
What are the key properties of methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 56849010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).