2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide

C22H24N4O2 — CID 126813788

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)NCc1ccc2cnn(C)c2c1
InChIInChI=1S/C22H24N4O2/c1-15(27)26-10-9-17-5-3-4-6-19(17)21(26)12-22(28)23-13-16-7-8-18-14-24-25(2)20(18)11-16/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,23,28)
InChIKeyFUPMIVXLLXEINT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide (PubChem CID 126813788) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide
PubChem CID126813788
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)NCc1ccc2cnn(C)c2c1
InChIInChI=1S/C22H24N4O2/c1-15(27)26-10-9-17-5-3-4-6-19(17)21(26)12-22(28)23-13-16-7-8-18-14-24-25(2)20(18)11-16/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,23,28)
InChIKeyFUPMIVXLLXEINT-UHFFFAOYSA-N
XLogP2.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Epz005687
CID 60160561
N-[4-[1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-6-yl(propyl)amino]butyl]-4-phenylbenzamide
CID 52937680
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
N-[1-(2-benzamidoethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9910744
N-(1-benzylpiperidin-4-yl)-1-isopropylindazole-3-carboxamide
CID 10499786
2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-indazole-7-carboxamide
CID 44549376
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-indazole-7-carboxamide
CID 44549377
1H-Indazole-4-carboxaMide, N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-6-[4-(4-MorpholinylMethyl)phenyl]-
CID 60160560
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
CID 91668213
6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindazole-4-carboxamide
CID 132517141

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide (CID 126813788) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide is CC(=O)N1CCc2ccccc2C1CC(=O)NCc1ccc2cnn(C)c2c1.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide?
The InChIKey is FUPMIVXLLXEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(27)26-10-9-17-5-3-4-6-19(17)21(26)12-22(28)23-13-16-7-8-18-14-24-25(2)20(18)11-16/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,23,28).
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(1-methylindazol-6-yl)methyl]acetamide is sourced from PubChem (CID 126813788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).