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

C23H18FN5O2 — CID 24668155

IUPAC1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(Cc4coc(-c5ccc(F)cc5)n4)cnc32)c1
InChIInChI=1S/C23H18FN5O2/c1-14-7-15(2)9-19(8-14)29-21-20(10-26-29)23(30)28(13-25-21)11-18-12-31-22(27-18)16-3-5-17(24)6-4-16/h3-10,12-13H,11H2,1-2H3
InChIKeyCOGUAGQAFSEARB-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.04
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 24668155) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID24668155
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(Cc4coc(-c5ccc(F)cc5)n4)cnc32)c1
InChIInChI=1S/C23H18FN5O2/c1-14-7-15(2)9-19(8-14)29-21-20(10-26-29)23(30)28(13-25-21)11-18-12-31-22(27-18)16-3-5-17(24)6-4-16/h3-10,12-13H,11H2,1-2H3
InChIKeyCOGUAGQAFSEARB-UHFFFAOYSA-N
XLogP4.04
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 24668155) is 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4coc(-c5ccc(F)cc5)n4)cnc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is COGUAGQAFSEARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-14-7-15(2)9-19(8-14)29-21-20(10-26-29)23(30)28(13-25-21)11-18-12-31-22(27-18)16-3-5-17(24)6-4-16/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 415.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 24668155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).