2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C21H18FN5O4 — CID 95919372

IUPAC2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O
InChIInChI=1S/C21H18FN5O4/c1-13-3-8-17(30-2)16(11-13)24-18(28)12-27-21(29)26-10-9-23-20(19(26)25-27)31-15-6-4-14(22)5-7-15/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeyQMOGKACQJOBXHX-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.78
Rot. Bonds6

About 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 95919372) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID95919372
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O
InChIInChI=1S/C21H18FN5O4/c1-13-3-8-17(30-2)16(11-13)24-18(28)12-27-21(29)26-10-9-23-20(19(26)25-27)31-15-6-4-14(22)5-7-15/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeyQMOGKACQJOBXHX-UHFFFAOYSA-N
XLogP2.78
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 46397328
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(4-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 50844935
2-[8-(3,5-dimethylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53141910
N-(2,4-dimethoxyphenyl)-2-[8-(4-fluorophenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 95919544
N-(3-chloro-4-methoxyphenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141865
N-(3-chloro-2-fluorophenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141859
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028451
N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
CID 56685435
N-(3-chloro-2-methylphenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141863
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 53156714
N-(3-chloro-4-methylphenyl)-2-[8-(3-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141844
N-(3-chlorophenyl)-2-[8-(3-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141837

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 95919372) is 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O.
What is the InChIKey of 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is QMOGKACQJOBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-13-3-8-17(30-2)16(11-13)24-18(28)12-27-21(29)26-10-9-23-20(19(26)25-27)31-15-6-4-14(22)5-7-15/h3-11H,12H2,1-2H3,(H,24,28).
What are the key properties of 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 423.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 95919372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).