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

C30H22N6O — CID 16873184

IUPAC2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22N6O/c37-30(28(22-7-3-1-4-8-22)23-9-5-2-6-10-23)32-25-13-11-21(12-14-25)26-15-16-27-33-34-29(36(27)35-26)24-17-19-31-20-18-24/h1-20,28H,(H,32,37)
InChIKeyJJIDMYYSEHUDPY-UHFFFAOYSA-N
MW482.55 g/mol
LogP5.62
Rot. Bonds6

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

2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 16873184) has the molecular formula C30H22N6O and a molecular weight of 482.55 g/mol. Its IUPAC name is 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID16873184
Molecular FormulaC30H22N6O
Molecular Weight482.55 g/mol
Exact Mass482.19
IUPAC Name2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22N6O/c37-30(28(22-7-3-1-4-8-22)23-9-5-2-6-10-23)32-25-13-11-21(12-14-25)26-15-16-27-33-34-29(36(27)35-26)24-17-19-31-20-18-24/h1-20,28H,(H,32,37)
InChIKeyJJIDMYYSEHUDPY-UHFFFAOYSA-N
XLogP5.62
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
CID 7532343
1-methyl-2-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
CID 121036871
2,6-dimethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873193
1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 121036873
N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
CID 7532653
N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532633
2-ethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532665
N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532602
3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873246
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036846
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873265
4-acetamido-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036941

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 16873184) is 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is JJIDMYYSEHUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6O/c37-30(28(22-7-3-1-4-8-22)23-9-5-2-6-10-23)32-25-13-11-21(12-14-25)26-15-16-27-33-34-29(36(27)35-26)24-17-19-31-20-18-24/h1-20,28H,(H,32,37).
What are the key properties of 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 482.55 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 16873184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).