2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide

C26H28N4O2 — CID 6623641

IUPAC2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1
InChIInChI=1S/C26H28N4O2/c1-18-11-13-20(14-12-18)28-24(31)17-30-26(32)25-22(15-27-30)21-9-5-6-10-23(21)29(25)16-19-7-3-2-4-8-19/h2-10,15,18,20H,11-14,16-17H2,1H3,(H,28,31)
InChIKeyGWYDEFDOHMFLFV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.09
Rot. Bonds5

About 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide

2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 6623641) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID6623641
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1
InChIInChI=1S/C26H28N4O2/c1-18-11-13-20(14-12-18)28-24(31)17-30-26(32)25-22(15-27-30)21-9-5-6-10-23(21)29(25)16-19-7-3-2-4-8-19/h2-10,15,18,20H,11-14,16-17H2,1H3,(H,28,31)
InChIKeyGWYDEFDOHMFLFV-UHFFFAOYSA-N
XLogP4.09
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-cyclopentylacetamide
CID 20892259
N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892087
N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043934
N-cyclopentyl-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892048
N-benzyl-2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892126
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20891977
N-benzyl-2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892257
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-methylacetamide
CID 20892279
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 20891948
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20892242
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 20892210

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide (CID 6623641) is 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1.
What is the InChIKey of 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is GWYDEFDOHMFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-11-13-20(14-12-18)28-24(31)17-30-26(32)25-22(15-27-30)21-9-5-6-10-23(21)29(25)16-19-7-3-2-4-8-19/h2-10,15,18,20H,11-14,16-17H2,1H3,(H,28,31).
What are the key properties of 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide?
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 428.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 6623641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).