4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole

C28H28N4O4 — CID 50793628

IUPAC4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCCOc1ccc(-c2nc(COc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)c(C)o2)cc1OC
InChIInChI=1S/C28H28N4O4/c1-6-34-23-13-12-20(15-24(23)33-5)28-29-22(19(4)36-28)16-35-25-14-17(2)26-18(3)31-32(27(26)30-25)21-10-8-7-9-11-21/h7-15H,6,16H2,1-5H3
InChIKeyQUGMRUFRTUUHBF-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.99
Rot. Bonds8

About 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole

4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 50793628) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID50793628
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCCOc1ccc(-c2nc(COc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)c(C)o2)cc1OC
InChIInChI=1S/C28H28N4O4/c1-6-34-23-13-12-20(15-24(23)33-5)28-29-22(19(4)36-28)16-35-25-14-17(2)26-18(3)31-32(27(26)30-25)21-10-8-7-9-11-21/h7-15H,6,16H2,1-5H3
InChIKeyQUGMRUFRTUUHBF-UHFFFAOYSA-N
XLogP5.99
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyphenyl)-5-methyl-4-[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-1,3-oxazole
CID 50793630
4-[[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxymethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 50792861
2-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-ethylquinazolin-4-one
CID 30844966
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
2-[2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]ethyl]-5-propyl-1,3,4-oxadiazole
CID 69217586
6-(imidazo[1,2-a]pyridin-2-ylmethoxy)-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793589
3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
CID 50793788
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
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
4-[[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxymethyl]-6-ethoxychromen-2-one
CID 50793854
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
CID 67598182

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole (CID 50793628) is 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole is CCOc1ccc(-c2nc(COc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)c(C)o2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is QUGMRUFRTUUHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-6-34-23-13-12-20(15-24(23)33-5)28-29-22(19(4)36-28)16-35-25-14-17(2)26-18(3)31-32(27(26)30-25)21-10-8-7-9-11-21/h7-15H,6,16H2,1-5H3.
What are the key properties of 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole?
4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 484.56 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]-2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 50793628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).