2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide

C21H20N4O2 — CID 135410471

IUPAC2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13-3-6-15(7-4-13)10-22-19(26)12-25-21(27)20-17(11-23-25)16-9-14(2)5-8-18(16)24-20/h3-9,11,24H,10,12H2,1-2H3,(H,22,26)
InChIKeyCOZGJQOBBHBDHD-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.81
Rot. Bonds4

About 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 135410471) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID135410471
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13-3-6-15(7-4-13)10-22-19(26)12-25-21(27)20-17(11-23-25)16-9-14(2)5-8-18(16)24-20/h3-9,11,24H,10,12H2,1-2H3,(H,22,26)
InChIKeyCOZGJQOBBHBDHD-UHFFFAOYSA-N
XLogP2.81
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]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-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550934
N-(2-bromo-4-methylphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550937
N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550947
N-(3,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550944
N-(2,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550942
N-(2-ethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550982
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 136865046
N-[[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 136826974
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 135551045
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135551035
8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 135550957
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135551052

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 135410471) is 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1.
What is the InChIKey of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is COZGJQOBBHBDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-3-6-15(7-4-13)10-22-19(26)12-25-21(27)20-17(11-23-25)16-9-14(2)5-8-18(16)24-20/h3-9,11,24H,10,12H2,1-2H3,(H,22,26).
What are the key properties of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 135410471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).