N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

C25H22N8O2 — CID 138692385

IUPACN-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)cc1
InChIInChI=1S/C25H22N8O2/c1-16-4-3-5-24(28-16)33-22(18-6-11-23-26-15-27-32(23)14-18)12-21(31-33)13-25(35)30-20-9-7-19(8-10-20)29-17(2)34/h3-12,14-15H,13H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyWVGZNFFJCNAOLG-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.43
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (PubChem CID 138692385) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
PubChem CID138692385
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC NameN-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)cc1
InChIInChI=1S/C25H22N8O2/c1-16-4-3-5-24(28-16)33-22(18-6-11-23-26-15-27-32(23)14-18)12-21(31-33)13-25(35)30-20-9-7-19(8-10-20)29-17(2)34/h3-12,14-15H,13H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyWVGZNFFJCNAOLG-UHFFFAOYSA-N
XLogP3.43
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
CID 138692405
N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
CID 138692382
N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
CID 138692442
N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138594920
N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595183
N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595191
N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595117
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-bromophenyl)acetamide
CID 138595022
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 138595141
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 138594615
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-[4-(hydroxymethyl)phenyl]acetamide
CID 138594676
N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
CID 138594864

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (CID 138692385) is N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cc2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The InChIKey is WVGZNFFJCNAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c1-16-4-3-5-24(28-16)33-22(18-6-11-23-26-15-27-32(23)14-18)12-21(31-33)13-25(35)30-20-9-7-19(8-10-20)29-17(2)34/h3-12,14-15H,13H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138692385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).