N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H17ClN4O2 — CID 134801161

IUPACN-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3cnn(C)c3n2)c1
InChIInChI=1S/C21H17ClN4O2/c1-26-20-18(12-23-26)17(21(27)24-15-7-4-6-14(22)10-15)11-19(25-20)13-5-3-8-16(9-13)28-2/h3-12H,1-2H3,(H,24,27)
InChIKeyWQCWJJTVSFUTAS-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.55
Rot. Bonds4

About N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801161) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801161
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3cnn(C)c3n2)c1
InChIInChI=1S/C21H17ClN4O2/c1-26-20-18(12-23-26)17(21(27)24-15-7-4-6-14(22)10-15)11-19(25-20)13-5-3-8-16(9-13)28-2/h3-12H,1-2H3,(H,24,27)
InChIKeyWQCWJJTVSFUTAS-UHFFFAOYSA-N
XLogP4.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801161) is N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3cnn(C)c3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WQCWJJTVSFUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-26-20-18(12-23-26)17(21(27)24-15-7-4-6-14(22)10-15)11-19(25-20)13-5-3-8-16(9-13)28-2/h3-12H,1-2H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).