N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

C19H15FN6O2 — CID 53156717

IUPACN-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
SMILESCc1nc(-c2ccncc2)cc2nn(CC(=O)Nc3ccccc3F)c(=O)n12
InChIInChI=1S/C19H15FN6O2/c1-12-22-16(13-6-8-21-9-7-13)10-17-24-25(19(28)26(12)17)11-18(27)23-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,23,27)
InChIKeyJZPGHKPYSXEVAZ-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.04
Rot. Bonds4

About N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (PubChem CID 53156717) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
PubChem CID53156717
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
SMILESCc1nc(-c2ccncc2)cc2nn(CC(=O)Nc3ccccc3F)c(=O)n12
InChIInChI=1S/C19H15FN6O2/c1-12-22-16(13-6-8-21-9-7-13)10-17-24-25(19(28)26(12)17)11-18(27)23-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,23,27)
InChIKeyJZPGHKPYSXEVAZ-UHFFFAOYSA-N
XLogP2.04
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-chloro-2-fluorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363577
2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide
CID 50927038
N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 53156805
2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50847281
N-(2-chloro-3-pyridinyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 50927793
2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(2-fluorophenyl)acetamide
CID 53201281
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
N-(5-chloro-2-methoxyphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363607
2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide
CID 53156776
N-(2-chloro-4-methylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363572
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (CID 53156717) is N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is Cc1nc(-c2ccncc2)cc2nn(CC(=O)Nc3ccccc3F)c(=O)n12.
What is the InChIKey of N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The InChIKey is JZPGHKPYSXEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-12-22-16(13-6-8-21-9-7-13)10-17-24-25(19(28)26(12)17)11-18(27)23-15-5-3-2-4-14(15)20/h2-10H,11H2,1H3,(H,23,27).
What are the key properties of N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide has a molecular weight of 378.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(5-methyl-3-oxo-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 53156717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).