6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine

C18H20ClN3O2 — CID 169417551

IUPAC6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine
SMILESCCn1nc2nc(-c3cc(Cl)c(OC)c(OC)c3)cc(C)c2c1C
InChIInChI=1S/C18H20ClN3O2/c1-6-22-11(3)16-10(2)7-14(20-18(16)21-22)12-8-13(19)17(24-5)15(9-12)23-4/h7-9H,6H2,1-5H3
InChIKeyAHRZZXNFNGPDER-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.41
Rot. Bonds4

About 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine

6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 169417551) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine
PubChem CID169417551
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine
SMILESCCn1nc2nc(-c3cc(Cl)c(OC)c(OC)c3)cc(C)c2c1C
InChIInChI=1S/C18H20ClN3O2/c1-6-22-11(3)16-10(2)7-14(20-18(16)21-22)12-8-13(19)17(24-5)15(9-12)23-4/h7-9H,6H2,1-5H3
InChIKeyAHRZZXNFNGPDER-UHFFFAOYSA-N
XLogP4.41
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 169421295
5-(chloromethyl)-1-ethyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 21082222
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
ethyl 3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 63357988
5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol
CID 172668028
2-chloro-3-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90321307
6-(3,4-dimethoxyphenyl)-2,4-dimethylpyrazolo[3,4-b]pyridine
CID 169417475
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
3-ethyl-2-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 62225022
3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine
CID 170508115
(1R)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915243
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine (CID 169417551) is 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine is CCn1nc2nc(-c3cc(Cl)c(OC)c(OC)c3)cc(C)c2c1C.
What is the InChIKey of 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is AHRZZXNFNGPDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-6-22-11(3)16-10(2)7-14(20-18(16)21-22)12-8-13(19)17(24-5)15(9-12)23-4/h7-9H,6H2,1-5H3.
What are the key properties of 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine?
6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 345.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 169417551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).