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

C21H18ClN3O — CID 50793866

IUPAC6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1cc(OCc2cccc(Cl)c2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C21H18ClN3O/c1-14-11-19(26-13-16-7-6-8-17(22)12-16)23-21-20(14)15(2)24-25(21)18-9-4-3-5-10-18/h3-12H,13H2,1-2H3
InChIKeyGROQLHNSZMJIHD-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.27
Rot. Bonds4

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

6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 50793866) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID50793866
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1cc(OCc2cccc(Cl)c2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C21H18ClN3O/c1-14-11-19(26-13-16-7-6-8-17(22)12-16)23-21-20(14)15(2)24-25(21)18-9-4-3-5-10-18/h3-12H,13H2,1-2H3
InChIKeyGROQLHNSZMJIHD-UHFFFAOYSA-N
XLogP5.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
CID 50793788
1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine
CID 50757355
6-(imidazo[1,2-a]pyridin-2-ylmethoxy)-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793589
N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791159
6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine
CID 50793639
2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
CID 65124564
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 50793628
2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791645

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine (CID 50793866) is 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine is Cc1cc(OCc2cccc(Cl)c2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is GROQLHNSZMJIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-14-11-19(26-13-16-7-6-8-17(22)12-16)23-21-20(14)15(2)24-25(21)18-9-4-3-5-10-18/h3-12H,13H2,1-2H3.
What are the key properties of 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine?
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 363.85 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 50793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).