6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C17H16Cl2N4OS — CID 134792404

IUPAC6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCSCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1cnn2C
InChIInChI=1S/C17H16Cl2N4OS/c1-23-16-13(9-21-23)12(17(24)20-5-6-25-2)8-15(22-16)11-4-3-10(18)7-14(11)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,24)
InChIKeyYSCFZVGMIXSQKD-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.03
Rot. Bonds5

About 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134792404) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134792404
Molecular FormulaC17H16Cl2N4OS
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCSCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1cnn2C
InChIInChI=1S/C17H16Cl2N4OS/c1-23-16-13(9-21-23)12(17(24)20-5-6-25-2)8-15(22-16)11-4-3-10(18)7-14(11)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,24)
InChIKeyYSCFZVGMIXSQKD-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794872
6-(2,4-dichlorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790626
N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794177
[6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 134795215
N-[2-(4-chlorophenyl)ethyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799362
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
N-(cyclohexylmethyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803539
6-(4-methoxyphenyl)-1-methyl-N-pentylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800939
6-(2-fluorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801674
N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803462
N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134804041

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134792404) is 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CSCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1cnn2C.
What is the InChIKey of 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YSCFZVGMIXSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c1-23-16-13(9-21-23)12(17(24)20-5-6-25-2)8-15(22-16)11-4-3-10(18)7-14(11)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,24).
What are the key properties of 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 395.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134792404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).