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

C19H14FN5O3 — CID 16832691

IUPAC2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(COc1ccccc1F)Nn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C19H14FN5O3/c20-15-8-4-5-9-16(15)28-11-17(26)23-24-12-21-18-14(19(24)27)10-22-25(18)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,26)
InChIKeyVNUHSQJULPQBBV-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.87
Rot. Bonds5

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

2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 16832691) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID16832691
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(COc1ccccc1F)Nn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C19H14FN5O3/c20-15-8-4-5-9-16(15)28-11-17(26)23-24-12-21-18-14(19(24)27)10-22-25(18)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,26)
InChIKeyVNUHSQJULPQBBV-UHFFFAOYSA-N
XLogP1.87
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18586679
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090
5-[2-(2-fluorophenoxy)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 17446572
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
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]acetamide
CID 42525032
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
CID 18586628
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
CID 16811207
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
CID 18586745
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
CID 16811184
5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16804132

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 16832691) is 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is O=C(COc1ccccc1F)Nn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is VNUHSQJULPQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-15-8-4-5-9-16(15)28-11-17(26)23-24-12-21-18-14(19(24)27)10-22-25(18)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,26).
What are the key properties of 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 379.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 16832691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).