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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Related Compounds

6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120
(2S)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethylphenyl)propanamide
CID 94079122
3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
CID 50793788
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
CID 95922322
2-[4-[(3-fluorophenyl)methoxy]-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
CID 175167025
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791276
(2S)-N-(4-acetylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079091
(2R)-N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079112
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole
CID 50793630
2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline
CID 73335952

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).