5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol

C21H21N5O3 — CID 172668028

IUPAC5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol
SMILESCOc1cc(-c2cc(-c3cnc(C)cn3)c3c(C)n(C)nc3n2)cc(O)c1OC
InChIInChI=1S/C21H21N5O3/c1-11-9-23-16(10-22-11)14-8-15(24-21-19(14)12(2)26(3)25-21)13-6-17(27)20(29-5)18(7-13)28-4/h6-10,27H,1-5H3
InChIKeyYDHXUHVNVFDLON-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.43
Rot. Bonds4

About 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol

5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol (PubChem CID 172668028) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol
PubChem CID172668028
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol
SMILESCOc1cc(-c2cc(-c3cnc(C)cn3)c3c(C)n(C)nc3n2)cc(O)c1OC
InChIInChI=1S/C21H21N5O3/c1-11-9-23-16(10-22-11)14-8-15(24-21-19(14)12(2)26(3)25-21)13-6-17(27)20(29-5)18(7-13)28-4/h6-10,27H,1-5H3
InChIKeyYDHXUHVNVFDLON-UHFFFAOYSA-N
XLogP3.43
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-chloro-4,5-dimethoxyphenyl)-2-ethyl-3,4-dimethylpyrazolo[3,4-b]pyridine
CID 169417551
3-(3-hydroxy-4,5-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117416589
1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
CID 171389313
2,3-dimethoxy-5-phenylphenol
CID 135042969
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 169421295
5-(2-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256895
5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol
CID 71218503
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 10234367

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol?
The IUPAC name of 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol (CID 172668028) is 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol.
What is the SMILES notation for 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol?
The canonical SMILES for 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol is COc1cc(-c2cc(-c3cnc(C)cn3)c3c(C)n(C)nc3n2)cc(O)c1OC.
What is the InChIKey of 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol?
The InChIKey is YDHXUHVNVFDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-11-9-23-16(10-22-11)14-8-15(24-21-19(14)12(2)26(3)25-21)13-6-17(27)20(29-5)18(7-13)28-4/h6-10,27H,1-5H3.
What are the key properties of 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol?
5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol has a molecular weight of 391.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethyl-4-(5-methylpyrazin-2-yl)pyrazolo[3,4-b]pyridin-6-yl]-2,3-dimethoxyphenol is sourced from PubChem (CID 172668028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).