1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H6BrN5O — CID 136992687

IUPAC1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1cncc(Br)c1
InChIInChI=1S/C10H6BrN5O/c11-6-1-7(3-12-2-6)16-9-8(4-15-16)10(17)14-5-13-9/h1-5H,(H,13,14,17)
InChIKeyLJPPESQWFDSELF-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.27
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136992687) has the molecular formula C10H6BrN5O and a molecular weight of 292.10 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136992687
Molecular FormulaC10H6BrN5O
Molecular Weight292.10 g/mol
Exact Mass290.98
IUPAC Name1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1cncc(Br)c1
InChIInChI=1S/C10H6BrN5O/c11-6-1-7(3-12-2-6)16-9-8(4-15-16)10(17)14-5-13-9/h1-5H,(H,13,14,17)
InChIKeyLJPPESQWFDSELF-UHFFFAOYSA-N
XLogP1.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137035302
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 136683512
1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163752551
2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 167896175
2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 138989700
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412639
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
CID 130486985
2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 146075407
2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 167754168

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136992687) is 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2-c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LJPPESQWFDSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5O/c11-6-1-7(3-12-2-6)16-9-8(4-15-16)10(17)14-5-13-9/h1-5H,(H,13,14,17).
What are the key properties of 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 292.10 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136992687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).