2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide

C19H12ClF2N5O2 — CID 112770426

IUPAC2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H12ClF2N5O2/c20-11-2-1-3-13(6-11)27-18-14(8-24-27)19(29)26(10-23-18)9-17(28)25-16-7-12(21)4-5-15(16)22/h1-8,10H,9H2,(H,25,28)
InChIKeyABDFSMLHNCJLDC-UHFFFAOYSA-N
MW415.79 g/mol
LogP3.15
Rot. Bonds4

About 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide

2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 112770426) has the molecular formula C19H12ClF2N5O2 and a molecular weight of 415.79 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID112770426
Molecular FormulaC19H12ClF2N5O2
Molecular Weight415.79 g/mol
Exact Mass415.06
IUPAC Name2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H12ClF2N5O2/c20-11-2-1-3-13(6-11)27-18-14(8-24-27)19(29)26(10-23-18)9-17(28)25-16-7-12(21)4-5-15(16)22/h1-8,10H,9H2,(H,25,28)
InChIKeyABDFSMLHNCJLDC-UHFFFAOYSA-N
XLogP3.15
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7243703
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-fluorophenyl)acetamide
CID 7118527
ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
CID 16799467
N-(4-acetylphenyl)-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799470
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-cyanophenyl)acetamide
CID 112770422
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7118567
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 16798492
N-[1-(3-chlorophenyl)ethyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18193496
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243697
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 30693333

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide (CID 112770426) is 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide is O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is ABDFSMLHNCJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N5O2/c20-11-2-1-3-13(6-11)27-18-14(8-24-27)19(29)26(10-23-18)9-17(28)25-16-7-12(21)4-5-15(16)22/h1-8,10H,9H2,(H,25,28).
What are the key properties of 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide?
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 415.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 112770426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).