5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine

C16H16ClN3O — CID 171913716

IUPAC5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
SMILESCCn1ncc2nc(-c3cccc(OC)c3Cl)cc(C)c21
InChIInChI=1S/C16H16ClN3O/c1-4-20-16-10(2)8-12(19-13(16)9-18-20)11-6-5-7-14(21-3)15(11)17/h5-9H,4H2,1-3H3
InChIKeyMAWNKZYMWGDRRF-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.09
Rot. Bonds3

About 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine

5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine (PubChem CID 171913716) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
PubChem CID171913716
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
SMILESCCn1ncc2nc(-c3cccc(OC)c3Cl)cc(C)c21
InChIInChI=1S/C16H16ClN3O/c1-4-20-16-10(2)8-12(19-13(16)9-18-20)11-6-5-7-14(21-3)15(11)17/h5-9H,4H2,1-3H3
InChIKeyMAWNKZYMWGDRRF-UHFFFAOYSA-N
XLogP4.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(7-methyl-1-propylpyrazolo[4,5-b]pyridin-5-yl)phenoxy]acetic acid
CID 171916329
4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine
CID 169418815
5-(2-ethoxy-3-pyridinyl)-1-ethylpyrazolo[4,5-b]pyridin-7-amine
CID 142608517
4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170503416
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
CID 162634053
2-(6,7-dimethoxy-4-methylquinolin-2-yl)-6-methoxyphenol
CID 169417890
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
4-[5-(4-methoxyphenyl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170502990
7-chloro-1-ethylpyrazolo[4,3-b]pyridine
CID 84718585
7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
CID 169414553
N-butyl-5-chloro-1-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 163677023
1-ethyl-7-(2-methoxyphenyl)-2-methylbenzimidazole
CID 123988066

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine (CID 171913716) is 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine is CCn1ncc2nc(-c3cccc(OC)c3Cl)cc(C)c21.
What is the InChIKey of 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine?
The InChIKey is MAWNKZYMWGDRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-4-20-16-10(2)8-12(19-13(16)9-18-20)11-6-5-7-14(21-3)15(11)17/h5-9H,4H2,1-3H3.
What are the key properties of 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine?
5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine has a molecular weight of 301.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 171913716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).