5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H17BrN4O — CID 7243915

IUPAC5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c(C)c1
InChIInChI=1S/C20H17BrN4O/c1-13-3-8-18(14(2)9-13)25-19-17(10-23-25)20(26)24(12-22-19)11-15-4-6-16(21)7-5-15/h3-10,12H,11H2,1-2H3
InChIKeyDXGFOIGWIPYISQ-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.01
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7243915) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7243915
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c(C)c1
InChIInChI=1S/C20H17BrN4O/c1-13-3-8-18(14(2)9-13)25-19-17(10-23-25)20(26)24(12-22-19)11-15-4-6-16(21)7-5-15/h3-10,12H,11H2,1-2H3
InChIKeyDXGFOIGWIPYISQ-UHFFFAOYSA-N
XLogP4.01
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate
CID 7532895
1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243885
2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
CID 7243904
5-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243922
1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71962728
1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243818
1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243659
5-[(4-methylphenyl)methyl]-1-(2-nitrophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 46426252
5-benzyl-1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7532859
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
N-(3-acetamidophenyl)-2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799494
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 6623238

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7243915) is 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c(C)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DXGFOIGWIPYISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-13-3-8-18(14(2)9-13)25-19-17(10-23-25)20(26)24(12-22-19)11-15-4-6-16(21)7-5-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 409.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7243915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).