2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide

C19H14ClN5O3 — CID 138989700

IUPAC2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN5O3/c20-12-3-1-11(2-4-12)16(26)19(28)24-13-5-7-14(8-6-13)25-17-15(9-23-25)18(27)22-10-21-17/h1-10,16,26H,(H,24,28)(H,21,22,27)
InChIKeyVEURVMLHIRFJMC-UHFFFAOYSA-N
MW395.81 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide

2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide (PubChem CID 138989700) has the molecular formula C19H14ClN5O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
PubChem CID138989700
Molecular FormulaC19H14ClN5O3
Molecular Weight395.81 g/mol
Exact Mass395.08
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN5O3/c20-12-3-1-11(2-4-12)16(26)19(28)24-13-5-7-14(8-6-13)25-17-15(9-23-25)18(27)22-10-21-17/h1-10,16,26H,(H,24,28)(H,21,22,27)
InChIKeyVEURVMLHIRFJMC-UHFFFAOYSA-N
XLogP2.43
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 146075407
2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 167896175
cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
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
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
2-(3,5-dichlorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylphenyl)acetamide
CID 167744959
7-(4-chlorophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 136623259
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 5017813
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687
3-(difluoromethyl)-N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]benzamide
CID 167844255
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2043166

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide (CID 138989700) is 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide is O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The InChIKey is VEURVMLHIRFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3/c20-12-3-1-11(2-4-12)16(26)19(28)24-13-5-7-14(8-6-13)25-17-15(9-23-25)18(27)22-10-21-17/h1-10,16,26H,(H,24,28)(H,21,22,27).
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide has a molecular weight of 395.81 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 138989700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).