5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C22H15BrN5OP — CID 143223308

IUPAC5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccn3)c2nc(-c2ccccc2P)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN5OP/c23-14-8-10-15(11-9-14)27-20(16-5-1-2-6-18(16)30)26-21-17(22(27)29)13-25-28(21)19-7-3-4-12-24-19/h1-13H,30H2
InChIKeyKXWZMCYBRNVUEJ-UHFFFAOYSA-N
MW476.27 g/mol
LogP3.90
Rot. Bonds3

About 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 143223308) has the molecular formula C22H15BrN5OP and a molecular weight of 476.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID143223308
Molecular FormulaC22H15BrN5OP
Molecular Weight476.27 g/mol
Exact Mass475.02
IUPAC Name5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccn3)c2nc(-c2ccccc2P)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN5OP/c23-14-8-10-15(11-9-14)27-20(16-5-1-2-6-18(16)30)26-21-17(22(27)29)13-25-28(21)19-7-3-4-12-24-19/h1-13H,30H2
InChIKeyKXWZMCYBRNVUEJ-UHFFFAOYSA-N
XLogP3.90
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 11553069
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
5-(4-bromophenyl)-1-cyclohexyl-6-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 11634131
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;sulfonylmethyl acetate
CID 87630281
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 166126765
5-(2-chloroethyl)-6-(2-methoxy-3-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 162720138
5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068284

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 143223308) is 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccn3)c2nc(-c2ccccc2P)n1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KXWZMCYBRNVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN5OP/c23-14-8-10-15(11-9-14)27-20(16-5-1-2-6-18(16)30)26-21-17(22(27)29)13-25-28(21)19-7-3-4-12-24-19/h1-13H,30H2.
What are the key properties of 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 476.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-(2-phosphanylphenyl)-1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 143223308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).