2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C26H22N6O3 — CID 16873067

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1OC
InChIInChI=1S/C26H22N6O3/c1-34-22-12-6-17(15-23(22)35-2)16-25(33)28-19-9-7-18(8-10-19)20-11-13-24-29-30-26(32(24)31-20)21-5-3-4-14-27-21/h3-15H,16H2,1-2H3,(H,28,33)
InChIKeyPLYRXPDFASOKBM-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.05
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 16873067) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID16873067
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1OC
InChIInChI=1S/C26H22N6O3/c1-34-22-12-6-17(15-23(22)35-2)16-25(33)28-19-9-7-18(8-10-19)20-11-13-24-29-30-26(32(24)31-20)21-5-3-4-14-27-21/h3-15H,16H2,1-2H3,(H,28,33)
InChIKeyPLYRXPDFASOKBM-UHFFFAOYSA-N
XLogP4.05
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-dimethoxy-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873063
N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7532584
N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532602
5-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 121037059
2-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532764
2-bromo-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873060
N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
CID 7532593
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532742
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
3-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16821322
2,6-dimethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873193
N-(3,4-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116982

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 16873067) is 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is PLYRXPDFASOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-34-22-12-6-17(15-23(22)35-2)16-25(33)28-19-9-7-18(8-10-19)20-11-13-24-29-30-26(32(24)31-20)21-5-3-4-14-27-21/h3-15H,16H2,1-2H3,(H,28,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 466.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 16873067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).