4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide

C18H12FN5O2 — CID 16804090

IUPAC4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O2/c19-13-8-6-12(7-9-13)17(25)22-23-11-20-16-15(18(23)26)10-21-24(16)14-4-2-1-3-5-14/h1-11H,(H,22,25)
InChIKeyLQCQNRBADSTHOM-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.11
Rot. Bonds3

About 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide

4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide (PubChem CID 16804090) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
PubChem CID16804090
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O2/c19-13-8-6-12(7-9-13)17(25)22-23-11-20-16-15(18(23)26)10-21-24(16)14-4-2-1-3-5-14/h1-11H,(H,22,25)
InChIKeyLQCQNRBADSTHOM-UHFFFAOYSA-N
XLogP2.11
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
CID 16811207
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
4-chloro-3-nitro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804109
2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16832691
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16804132
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
2-bromo-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804165
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-4-methoxybenzamide
CID 16804233
2-chloro-6-fluoro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804172

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide (CID 16804090) is 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide is O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
The InChIKey is LQCQNRBADSTHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c19-13-8-6-12(7-9-13)17(25)22-23-11-20-16-15(18(23)26)10-21-24(16)14-4-2-1-3-5-14/h1-11H,(H,22,25).
What are the key properties of 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide has a molecular weight of 349.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 16804090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).