1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine

C23H22ClN3O2 — CID 50757355

IUPAC1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(COc2cc(C)c3c(C)nn(-c4cccc(Cl)c4C)c3n2)c1
InChIInChI=1S/C23H22ClN3O2/c1-14-11-21(29-13-17-7-5-8-18(12-17)28-4)25-23-22(14)16(3)26-27(23)20-10-6-9-19(24)15(20)2/h5-12H,13H2,1-4H3
InChIKeyOBPAAJPOEQXBOE-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.59
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine

1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 50757355) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine
PubChem CID50757355
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(COc2cc(C)c3c(C)nn(-c4cccc(Cl)c4C)c3n2)c1
InChIInChI=1S/C23H22ClN3O2/c1-14-11-21(29-13-17-7-5-8-18(12-17)28-4)25-23-22(14)16(3)26-27(23)20-10-6-9-19(24)15(20)2/h5-12H,13H2,1-4H3
InChIKeyOBPAAJPOEQXBOE-UHFFFAOYSA-N
XLogP5.59
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine (CID 50757355) is 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine is COc1cccc(COc2cc(C)c3c(C)nn(-c4cccc(Cl)c4C)c3n2)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is OBPAAJPOEQXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-14-11-21(29-13-17-7-5-8-18(12-17)28-4)25-23-22(14)16(3)26-27(23)20-10-6-9-19(24)15(20)2/h5-12H,13H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine?
1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 407.90 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-6-[(3-methoxyphenyl)methoxy]-3,4-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 50757355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).