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

C19H13BrFN5O2 — CID 2405979

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFN5O2/c20-12-6-7-16(15(21)8-12)24-17(27)10-25-11-22-18-14(19(25)28)9-23-26(18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,24,27)
InChIKeyQUXJIAWWHUZABL-UHFFFAOYSA-N
MW442.25 g/mol
LogP3.12
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 2405979) has the molecular formula C19H13BrFN5O2 and a molecular weight of 442.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID2405979
Molecular FormulaC19H13BrFN5O2
Molecular Weight442.25 g/mol
Exact Mass441.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFN5O2/c20-12-6-7-16(15(21)8-12)24-17(27)10-25-11-22-18-14(19(25)28)9-23-26(18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,24,27)
InChIKeyQUXJIAWWHUZABL-UHFFFAOYSA-N
XLogP3.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 2405979) is N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is QUXJIAWWHUZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O2/c20-12-6-7-16(15(21)8-12)24-17(27)10-25-11-22-18-14(19(25)28)9-23-26(18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,24,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 442.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 2405979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).