5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine

C16H16ClN3O2 — CID 169421295

IUPAC5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
SMILESCOc1cc(-c2cc(C)c3c(cnn3C)n2)cc(Cl)c1OC
InChIInChI=1S/C16H16ClN3O2/c1-9-5-12(19-13-8-18-20(2)15(9)13)10-6-11(17)16(22-4)14(7-10)21-3/h5-8H,1-4H3
InChIKeyCBDXJWZCLMPLAZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.61
Rot. Bonds3

About 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine

5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine (PubChem CID 169421295) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
PubChem CID169421295
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
SMILESCOc1cc(-c2cc(C)c3c(cnn3C)n2)cc(Cl)c1OC
InChIInChI=1S/C16H16ClN3O2/c1-9-5-12(19-13-8-18-20(2)15(9)13)10-6-11(17)16(22-4)14(7-10)21-3/h5-8H,1-4H3
InChIKeyCBDXJWZCLMPLAZ-UHFFFAOYSA-N
XLogP3.61
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 170506179
6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine
CID 169417551
5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
CID 171913716
8-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)quinoline
CID 169418235
4-[5-(3-chloro-4-hydroxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170506831
4-[5-(4-methoxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170502990
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
5-chloro-1,7-dimethylindazole
CID 121266447
6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine
CID 24951689
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
7-chloro-5-methoxy-1-methylindazole
CID 84667229
4-bromo-5-chloro-1,7-dimethylindazole
CID 168927566

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine (CID 169421295) is 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine is COc1cc(-c2cc(C)c3c(cnn3C)n2)cc(Cl)c1OC.
What is the InChIKey of 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
The InChIKey is CBDXJWZCLMPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-9-5-12(19-13-8-18-20(2)15(9)13)10-6-11(17)16(22-4)14(7-10)21-3/h5-8H,1-4H3.
What are the key properties of 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine has a molecular weight of 317.78 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 169421295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).