5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C20H24N4O2 — CID 58358213

IUPAC5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C3CCN(C)CC3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-14-19-17(12-18(25)23(14)13-15-6-4-3-5-7-15)21-24(20(19)26)16-8-10-22(2)11-9-16/h3-7,12,16,21H,8-11,13H2,1-2H3
InChIKeyZTOLHQMQNFQCLH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.11
Rot. Bonds3

About 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358213) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358213
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C3CCN(C)CC3)[nH]c2cc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-14-19-17(12-18(25)23(14)13-15-6-4-3-5-7-15)21-24(20(19)26)16-8-10-22(2)11-9-16/h3-7,12,16,21H,8-11,13H2,1-2H3
InChIKeyZTOLHQMQNFQCLH-UHFFFAOYSA-N
XLogP2.11
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358213) is 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(C3CCN(C)CC3)[nH]c2cc(=O)n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is ZTOLHQMQNFQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-19-17(12-18(25)23(14)13-15-6-4-3-5-7-15)21-24(20(19)26)16-8-10-22(2)11-9-16/h3-7,12,16,21H,8-11,13H2,1-2H3.
What are the key properties of 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 352.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).