2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide

C16H20N4O2 — CID 67356813

IUPAC2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2c([nH]n(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C16H20N4O2/c1-17-15(21)11-19-8-7-13-14(10-19)18-20(16(13)22)9-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,21)
InChIKeyFLTMNZQDFLXCLI-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.33
Rot. Bonds4

About 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide

2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide (PubChem CID 67356813) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide
PubChem CID67356813
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2c([nH]n(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C16H20N4O2/c1-17-15(21)11-19-8-7-13-14(10-19)18-20(16(13)22)9-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,21)
InChIKeyFLTMNZQDFLXCLI-UHFFFAOYSA-N
XLogP0.33
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide 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

2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
6-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67374450
6-[(3-chlorophenyl)methyl]-2-(pyridin-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375792
2-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110457090
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66023131
6-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372988
6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 156806650
6-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-2-(2-hydroxyethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 77093206

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide?
The IUPAC name of 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide (CID 67356813) is 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide is CNC(=O)CN1CCc2c([nH]n(Cc3ccccc3)c2=O)C1.
What is the InChIKey of 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide?
The InChIKey is FLTMNZQDFLXCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-17-15(21)11-19-8-7-13-14(10-19)18-20(16(13)22)9-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,21).
What are the key properties of 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide?
2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-oxo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-N-methylacetamide is sourced from PubChem (CID 67356813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).