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N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H13Cl3N4O — CID 134794177

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3Cl)cc(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C20H13Cl3N4O/c1-27-19-14(10-24-27)13(20(28)26-17-5-3-2-4-15(17)22)9-18(25-19)12-7-6-11(21)8-16(12)23/h2-10H,1H3,(H,26,28)
InChIKeySGRVUCFZQYAHNG-UHFFFAOYSA-N
MW431.71 g/mol
LogP5.85
Rot. Bonds3

About N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134794177) has the molecular formula C20H13Cl3N4O and a molecular weight of 431.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134794177
Molecular FormulaC20H13Cl3N4O
Molecular Weight431.71 g/mol
Exact Mass430.02
IUPAC NameN-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)Nc3ccccc3Cl)cc(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C20H13Cl3N4O/c1-27-19-14(10-24-27)13(20(28)26-17-5-3-2-4-15(17)22)9-18(25-19)12-7-6-11(21)8-16(12)23/h2-10H,1H3,(H,26,28)
InChIKeySGRVUCFZQYAHNG-UHFFFAOYSA-N
XLogP5.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134794177) is N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)Nc3ccccc3Cl)cc(-c3ccc(Cl)cc3Cl)nc21.
What is the InChIKey of N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SGRVUCFZQYAHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4O/c1-27-19-14(10-24-27)13(20(28)26-17-5-3-2-4-15(17)22)9-18(25-19)12-7-6-11(21)8-16(12)23/h2-10H,1H3,(H,26,28).
What are the key properties of N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.71 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134794177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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