6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine

C21H18FN3O — CID 50793765

IUPAC6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc(OCc3cccc(F)c3)cc(-c3ccccc3)c12
InChIInChI=1S/C21H18FN3O/c1-14-20-18(16-8-4-3-5-9-16)12-19(23-21(20)25(2)24-14)26-13-15-7-6-10-17(22)11-15/h3-12H,13H2,1-2H3
InChIKeyMERDXXNEEGKDBU-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.66
Rot. Bonds4

About 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine

6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine (PubChem CID 50793765) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine
PubChem CID50793765
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc(OCc3cccc(F)c3)cc(-c3ccccc3)c12
InChIInChI=1S/C21H18FN3O/c1-14-20-18(16-8-4-3-5-9-16)12-19(23-21(20)25(2)24-14)26-13-15-7-6-10-17(22)11-15/h3-12H,13H2,1-2H3
InChIKeyMERDXXNEEGKDBU-UHFFFAOYSA-N
XLogP4.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine (CID 50793765) is 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine is Cc1nn(C)c2nc(OCc3cccc(F)c3)cc(-c3ccccc3)c12.
What is the InChIKey of 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is MERDXXNEEGKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14-20-18(16-8-4-3-5-9-16)12-19(23-21(20)25(2)24-14)26-13-15-7-6-10-17(22)11-15/h3-12H,13H2,1-2H3.
What are the key properties of 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine?
6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 347.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 50793765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).