2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide

C23H22BrN5O2 — CID 53331074

IUPAC2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O
InChIInChI=1S/C23H22BrN5O2/c1-16(7-8-17-5-3-2-4-6-17)26-22(30)14-28-23(31)21-13-20(27-29(21)15-25-28)18-9-11-19(24)12-10-18/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,26,30)
InChIKeyVZBRWNUXMPQXAK-UHFFFAOYSA-N
MW480.37 g/mol
LogP3.46
Rot. Bonds7

About 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 53331074) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID53331074
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC Name2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O
InChIInChI=1S/C23H22BrN5O2/c1-16(7-8-17-5-3-2-4-6-17)26-22(30)14-28-23(31)21-13-20(27-29(21)15-25-28)18-9-11-19(24)12-10-18/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,26,30)
InChIKeyVZBRWNUXMPQXAK-UHFFFAOYSA-N
XLogP3.46
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide
CID 53331090
N-[(3-bromophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 4615733
2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20953505
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 22514476
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-propan-2-ylacetamide
CID 22513267
2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95099050
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953502
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide
CID 22513269
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926133
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513148
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20953511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 53331074) is 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O.
What is the InChIKey of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is VZBRWNUXMPQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-16(7-8-17-5-3-2-4-6-17)26-22(30)14-28-23(31)21-13-20(27-29(21)15-25-28)18-9-11-19(24)12-10-18/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,26,30).
What are the key properties of 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 480.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 53331074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).