5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C18H12BrFN4O — CID 11553069

IUPAC5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(-c3ccc(Br)cc3)c(-c3ccccc3F)nc21
InChIInChI=1S/C18H12BrFN4O/c1-23-16-14(10-21-23)18(25)24(12-8-6-11(19)7-9-12)17(22-16)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyOKSWCQBDBKHZOG-UHFFFAOYSA-N
MW399.22 g/mol
LogP3.69
Rot. Bonds2

About 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 11553069) has the molecular formula C18H12BrFN4O and a molecular weight of 399.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID11553069
Molecular FormulaC18H12BrFN4O
Molecular Weight399.22 g/mol
Exact Mass398.02
IUPAC Name5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(-c3ccc(Br)cc3)c(-c3ccccc3F)nc21
InChIInChI=1S/C18H12BrFN4O/c1-23-16-14(10-21-23)18(25)24(12-8-6-11(19)7-9-12)17(22-16)13-4-2-3-5-15(13)20/h2-10H,1H3
InChIKeyOKSWCQBDBKHZOG-UHFFFAOYSA-N
XLogP3.69
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-1-cyclohexyl-6-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 11634131
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 143223308
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
3-(4-bromophenyl)-2-(2-fluorophenyl)-6-methylsulfanyl-5-(quinolin-2-ylmethyliminomethyl)pyrimidin-4-one
CID 158833659
5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068284
6-(2-fluorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801674
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;sulfonylmethyl acetate
CID 87630281
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103
7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 11553069) is 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(-c3ccc(Br)cc3)c(-c3ccccc3F)nc21.
What is the InChIKey of 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OKSWCQBDBKHZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN4O/c1-23-16-14(10-21-23)18(25)24(12-8-6-11(19)7-9-12)17(22-16)13-4-2-3-5-15(13)20/h2-10H,1H3.
What are the key properties of 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 399.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 11553069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).