5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C23H19N5O2 — CID 39976610

IUPAC5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)co2)c(C)c1
InChIInChI=1S/C23H19N5O2/c1-15-8-9-19(16(2)10-15)22-26-17(13-30-22)12-27-14-24-21-20(23(27)29)11-25-28(21)18-6-4-3-5-7-18/h3-11,13-14H,12H2,1-2H3
InChIKeyXEPCSCMZSXSSHF-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.90
Rot. Bonds4

About 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 39976610) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID39976610
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)co2)c(C)c1
InChIInChI=1S/C23H19N5O2/c1-15-8-9-19(16(2)10-15)22-26-17(13-30-22)12-27-14-24-21-20(23(27)29)11-25-28(21)18-6-4-3-5-7-18/h3-11,13-14H,12H2,1-2H3
InChIKeyXEPCSCMZSXSSHF-UHFFFAOYSA-N
XLogP3.90
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24668155
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160449
1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 653837
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
1-(4-methoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 50838371
5-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 24592755
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71962728
N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617001
5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243915
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
CID 46484281

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 39976610) is 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-c2nc(Cn3cnc4c(cnn4-c4ccccc4)c3=O)co2)c(C)c1.
What is the InChIKey of 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XEPCSCMZSXSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15-8-9-19(16(2)10-15)22-26-17(13-30-22)12-27-14-24-21-20(23(27)29)11-25-28(21)18-6-4-3-5-7-18/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 397.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 39976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).