2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide

C19H13ClFN5O2 — CID 167896175

IUPAC2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1
InChIInChI=1S/C19H13ClFN5O2/c20-15-6-1-11(7-16(15)21)8-17(27)25-12-2-4-13(5-3-12)26-18-14(9-24-26)19(28)23-10-22-18/h1-7,9-10H,8H2,(H,25,27)(H,22,23,28)
InChIKeyHJCWCFCAJRLJSY-UHFFFAOYSA-N
MW397.80 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide

2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide (PubChem CID 167896175) has the molecular formula C19H13ClFN5O2 and a molecular weight of 397.80 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
PubChem CID167896175
Molecular FormulaC19H13ClFN5O2
Molecular Weight397.80 g/mol
Exact Mass397.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1
InChIInChI=1S/C19H13ClFN5O2/c20-15-6-1-11(7-16(15)21)8-17(27)25-12-2-4-13(5-3-12)26-18-14(9-24-26)19(28)23-10-22-18/h1-7,9-10H,8H2,(H,25,27)(H,22,23,28)
InChIKeyHJCWCFCAJRLJSY-UHFFFAOYSA-N
XLogP3.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 138989700
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
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
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7118567
2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 146075407
2-(3,4-dichlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489364
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
N-(4-butylphenyl)-2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16798465
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-fluorophenyl)acetamide
CID 7118527

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide (CID 167896175) is 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide is O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The InChIKey is HJCWCFCAJRLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O2/c20-15-6-1-11(7-16(15)21)8-17(27)25-12-2-4-13(5-3-12)26-18-14(9-24-26)19(28)23-10-22-18/h1-7,9-10H,8H2,(H,25,27)(H,22,23,28).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide has a molecular weight of 397.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 167896175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).