2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C23H24N6O3 — CID 164914281

IUPAC2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCc1c(OCc2ccccc2)c(C(C)C)nn(CC(=O)Nc2ccc3nncn3c2)c1=O
InChIInChI=1S/C23H24N6O3/c1-15(2)21-22(32-13-17-7-5-4-6-8-17)16(3)23(31)29(27-21)12-20(30)25-18-9-10-19-26-24-14-28(19)11-18/h4-11,14-15H,12-13H2,1-3H3,(H,25,30)
InChIKeyAGCRKIMXWFSXSF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.94
Rot. Bonds7

About 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 164914281) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID164914281
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCc1c(OCc2ccccc2)c(C(C)C)nn(CC(=O)Nc2ccc3nncn3c2)c1=O
InChIInChI=1S/C23H24N6O3/c1-15(2)21-22(32-13-17-7-5-4-6-8-17)16(3)23(31)29(27-21)12-20(30)25-18-9-10-19-26-24-14-28(19)11-18/h4-11,14-15H,12-13H2,1-3H3,(H,25,30)
InChIKeyAGCRKIMXWFSXSF-UHFFFAOYSA-N
XLogP2.94
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 164914281) is 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is Cc1c(OCc2ccccc2)c(C(C)C)nn(CC(=O)Nc2ccc3nncn3c2)c1=O.
What is the InChIKey of 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is AGCRKIMXWFSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15(2)21-22(32-13-17-7-5-4-6-8-17)16(3)23(31)29(27-21)12-20(30)25-18-9-10-19-26-24-14-28(19)11-18/h4-11,14-15H,12-13H2,1-3H3,(H,25,30).
What are the key properties of 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 164914281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).