2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide

C19H15FN6O2 — CID 166648278

IUPAC2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccn4ncnc4c3)n2)c(F)c1
InChIInChI=1S/C19H15FN6O2/c1-12-2-3-14(15(20)8-12)16-4-5-19(28)26(24-16)10-18(27)23-13-6-7-25-17(9-13)21-11-22-25/h2-9,11H,10H2,1H3,(H,23,27)
InChIKeyJCXAZFKTJRHIGU-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.04
Rot. Bonds4

About 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide

2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide (PubChem CID 166648278) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide
PubChem CID166648278
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccn4ncnc4c3)n2)c(F)c1
InChIInChI=1S/C19H15FN6O2/c1-12-2-3-14(15(20)8-12)16-4-5-19(28)26(24-16)10-18(27)23-13-6-7-25-17(9-13)21-11-22-25/h2-9,11H,10H2,1H3,(H,23,27)
InChIKeyJCXAZFKTJRHIGU-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide?
The IUPAC name of 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide (CID 166648278) is 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide.
What is the SMILES notation for 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide?
The canonical SMILES for 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccn4ncnc4c3)n2)c(F)c1.
What is the InChIKey of 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide?
The InChIKey is JCXAZFKTJRHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-12-2-3-14(15(20)8-12)16-4-5-19(28)26(24-16)10-18(27)23-13-6-7-25-17(9-13)21-11-22-25/h2-9,11H,10H2,1H3,(H,23,27).
What are the key properties of 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide?
2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-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 2-[3-(2-fluoro-4-methylphenyl)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide is sourced from PubChem (CID 166648278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).