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

C21H18ClN3O2 — CID 158842499

IUPAC2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
InChIInChI=1S/C21H18ClN3O2/c1-3-13-7-6-8-14(11-13)20-19-16(12-18(26)24(20)2)23-25(21(19)27)17-10-5-4-9-15(17)22/h4-12,23H,3H2,1-2H3
InChIKeyIYKPIFSQPHBBIB-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.90
Rot. Bonds3

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

2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 158842499) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID158842499
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
InChIInChI=1S/C21H18ClN3O2/c1-3-13-7-6-8-14(11-13)20-19-16(12-18(26)24(20)2)23-25(21(19)27)17-10-5-4-9-15(17)22/h4-12,23H,3H2,1-2H3
InChIKeyIYKPIFSQPHBBIB-UHFFFAOYSA-N
XLogP3.90
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-5-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358054
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-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358132
2-(2-chlorophenyl)-5-methyl-4-(naphthalen-1-yloxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358159
2-(2-chlorophenyl)-5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358187
2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557497
2-(2-chlorophenyl)-5-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557325
2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66021073
2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358105
4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557326
2-(2-chlorophenyl)-5-[2-(methylaminomethyl)butyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 143962609
2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358136

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 158842499) is 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCc1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is IYKPIFSQPHBBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-3-13-7-6-8-14(11-13)20-19-16(12-18(26)24(20)2)23-25(21(19)27)17-10-5-4-9-15(17)22/h4-12,23H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 379.85 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3-ethylphenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 158842499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).