2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C21H20ClN5O2 — CID 58358187

IUPAC2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN(Cc1ccccn1)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1C
InChIInChI=1S/C21H20ClN5O2/c1-25(12-14-7-5-6-10-23-14)13-18-20-16(11-19(28)26(18)2)24-27(21(20)29)17-9-4-3-8-15(17)22/h3-11,24H,12-13H2,1-2H3
InChIKeyUIYIGSVLWPQFFG-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358187) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358187
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN(Cc1ccccn1)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1C
InChIInChI=1S/C21H20ClN5O2/c1-25(12-14-7-5-6-10-23-14)13-18-20-16(11-19(28)26(18)2)24-27(21(20)29)17-9-4-3-8-15(17)22/h3-11,24H,12-13H2,1-2H3
InChIKeyUIYIGSVLWPQFFG-UHFFFAOYSA-N
XLogP2.70
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione 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

4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358132
2-(2-chlorophenyl)-4-[(2-chlorophenyl)methoxymethyl]-5-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358057
2-(2-chlorophenyl)-5-methyl-4-(1-phenylmethoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58496384
4-[(4-chlorophenoxy)methyl]-2-(2-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358197
2-(2-methoxyphenyl)-5-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358181
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 58496396
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
4-(3-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71558146
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
4-butyl-2-(4-phenylmethoxyphenyl)-5-(2-pyridin-2-ylethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358074

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358187) is 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CN(Cc1ccccn1)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1C.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is UIYIGSVLWPQFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-25(12-14-7-5-6-10-23-14)13-18-20-16(11-19(28)26(18)2)24-27(21(20)29)17-9-4-3-8-15(17)22/h3-11,24H,12-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 409.88 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).