5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide

C16H10BrN5O3 — CID 16804132

IUPAC5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Br)o1
InChIInChI=1S/C16H10BrN5O3/c17-13-7-6-12(25-13)15(23)20-21-9-18-14-11(16(21)24)8-19-22(14)10-4-2-1-3-5-10/h1-9H,(H,20,23)
InChIKeyZFEMHQDUCUJUDB-UHFFFAOYSA-N
MW400.19 g/mol
LogP2.32
Rot. Bonds3

About 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide

5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide (PubChem CID 16804132) has the molecular formula C16H10BrN5O3 and a molecular weight of 400.19 g/mol. Its IUPAC name is 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
PubChem CID16804132
Molecular FormulaC16H10BrN5O3
Molecular Weight400.19 g/mol
Exact Mass399.00
IUPAC Name5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Br)o1
InChIInChI=1S/C16H10BrN5O3/c17-13-7-6-12(25-13)15(23)20-21-9-18-14-11(16(21)24)8-19-22(14)10-4-2-1-3-5-10/h1-9H,(H,20,23)
InChIKeyZFEMHQDUCUJUDB-UHFFFAOYSA-N
XLogP2.32
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
2-bromo-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804165
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
CID 16811207
4-chloro-3-nitro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804109
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16832691
2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18586679
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
CID 16811184
2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811162
5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide
CID 135880861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide (CID 16804132) is 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide is O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is ZFEMHQDUCUJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5O3/c17-13-7-6-12(25-13)15(23)20-21-9-18-14-11(16(21)24)8-19-22(14)10-4-2-1-3-5-10/h1-9H,(H,20,23).
What are the key properties of 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide?
5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 400.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 16804132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).