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

C28H28N4O2 — CID 20951897

IUPAC1-(4-ethylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5cccc(C)c5)oc4C)c32)cc1
InChIInChI=1S/C28H28N4O2/c1-6-21-10-12-23(13-11-21)32-28-26(19(4)30-32)18(3)15-25(33)31(28)16-24-20(5)34-27(29-24)22-9-7-8-17(2)14-22/h7-15H,6,16H2,1-5H3
InChIKeyUDNIUZNMMCVOTO-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.69
Rot. Bonds5

About 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

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 (PubChem CID 20951897) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
PubChem CID20951897
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name1-(4-ethylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5cccc(C)c5)oc4C)c32)cc1
InChIInChI=1S/C28H28N4O2/c1-6-21-10-12-23(13-11-21)32-28-26(19(4)30-32)18(3)15-25(33)31(28)16-24-20(5)34-27(29-24)22-9-7-8-17(2)14-22/h7-15H,6,16H2,1-5H3
InChIKeyUDNIUZNMMCVOTO-UHFFFAOYSA-N
XLogP5.69
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951937
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
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
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
7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951849
7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951873
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 3275580
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
3,4-dimethyl-7-pentyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 9146991

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5cccc(C)c5)oc4C)c32)cc1.
What is the InChIKey of 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?
The InChIKey is UDNIUZNMMCVOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-6-21-10-12-23(13-11-21)32-28-26(19(4)30-32)18(3)15-25(33)31(28)16-24-20(5)34-27(29-24)22-9-7-8-17(2)14-22/h7-15H,6,16H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 452.56 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20951897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).