7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one

C22H24N4O4 — CID 20951786

IUPAC7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(C)c43)c(C)o2)cc1OC
InChIInChI=1S/C22H24N4O4/c1-12-9-19(27)26(22-20(12)13(2)24-25(22)4)11-16-14(3)30-21(23-16)15-7-8-17(28-5)18(10-15)29-6/h7-10H,11H2,1-6H3
InChIKeyKUYAGMFZRZYREL-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.38
Rot. Bonds5

About 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one

7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 20951786) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
PubChem CID20951786
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(C)c43)c(C)o2)cc1OC
InChIInChI=1S/C22H24N4O4/c1-12-9-19(27)26(22-20(12)13(2)24-25(22)4)11-16-14(3)30-21(23-16)15-7-8-17(28-5)18(10-15)29-6/h7-10H,11H2,1-6H3
InChIKeyKUYAGMFZRZYREL-UHFFFAOYSA-N
XLogP3.38
TPSA84.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951937
7-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951863
1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
CID 20951926
5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575313
1-(4-ethylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
CID 20951897
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
ethyl 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352977
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
7-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951727
2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole
CID 50793630
2-(3,4-dimethoxyphenyl)-4-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56753626

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one (CID 20951786) is 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one is COc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(C)c43)c(C)o2)cc1OC.
What is the InChIKey of 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KUYAGMFZRZYREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-12-9-19(27)26(22-20(12)13(2)24-25(22)4)11-16-14(3)30-21(23-16)15-7-8-17(28-5)18(10-15)29-6/h7-10H,11H2,1-6H3.
What are the key properties of 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one?
7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 408.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20951786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).