N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

C21H16BrFN4O3 — CID 16875789

IUPACN-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)cc4F)ccn3n2)cc1
InChIInChI=1S/C21H16BrFN4O3/c1-30-15-5-2-13(3-6-15)18-11-19-21(29)26(8-9-27(19)25-18)12-20(28)24-17-7-4-14(22)10-16(17)23/h2-11H,12H2,1H3,(H,24,28)
InChIKeyARYHLAKYRDRXBE-UHFFFAOYSA-N
MW471.29 g/mol
LogP3.71
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 16875789) has the molecular formula C21H16BrFN4O3 and a molecular weight of 471.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID16875789
Molecular FormulaC21H16BrFN4O3
Molecular Weight471.29 g/mol
Exact Mass470.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)cc4F)ccn3n2)cc1
InChIInChI=1S/C21H16BrFN4O3/c1-30-15-5-2-13(3-6-15)18-11-19-21(29)26(8-9-27(19)25-18)12-20(28)24-17-7-4-14(22)10-16(17)23/h2-11H,12H2,1H3,(H,24,28)
InChIKeyARYHLAKYRDRXBE-UHFFFAOYSA-N
XLogP3.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 20960302
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-(2-fluorophenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875760
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875785
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 18592320
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 18592253
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875784
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956891
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16875796
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946
N-(2,5-difluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956850

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 16875789) is N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)cc4F)ccn3n2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is ARYHLAKYRDRXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN4O3/c1-30-15-5-2-13(3-6-15)18-11-19-21(29)26(8-9-27(19)25-18)12-20(28)24-17-7-4-14(22)10-16(17)23/h2-11H,12H2,1H3,(H,24,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 471.29 g/mol, XLogP of 3.71, 5 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-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 16875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).