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

C28H28N4O2 — CID 20951863

IUPAC7-[[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
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5cc(C)ccc5C)oc4C)c32)cc1
InChIInChI=1S/C28H28N4O2/c1-16-8-11-22(12-9-16)32-28-26(20(5)30-32)19(4)14-25(33)31(28)15-24-21(6)34-27(29-24)23-13-17(2)7-10-18(23)3/h7-14H,15H2,1-6H3
InChIKeyJOOALDPZIAVJKQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.74
Rot. Bonds4

About 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

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 (PubChem CID 20951863) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID20951863
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name7-[[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
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5cc(C)ccc5C)oc4C)c32)cc1
InChIInChI=1S/C28H28N4O2/c1-16-8-11-22(12-9-16)32-28-26(20(5)30-32)19(4)14-25(33)31(28)15-24-21(6)34-27(29-24)23-13-17(2)7-10-18(23)3/h7-14H,15H2,1-6H3
InChIKeyJOOALDPZIAVJKQ-UHFFFAOYSA-N
XLogP5.74
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5cc(C)ccc5C)oc4C)c32)cc1.
What is the InChIKey of 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?
The InChIKey is JOOALDPZIAVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-16-8-11-22(12-9-16)32-28-26(20(5)30-32)19(4)14-25(33)31(28)15-24-21(6)34-27(29-24)23-13-17(2)7-10-18(23)3/h7-14H,15H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 452.56 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20951863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).