N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N4O2S — CID 134797549

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccsc3)nc3c2cnn3C)cc1
InChIInChI=1S/C21H20N4O2S/c1-25-20-18(12-23-25)17(11-19(24-20)15-8-10-28-13-15)21(26)22-9-7-14-3-5-16(27-2)6-4-14/h3-6,8,10-13H,7,9H2,1-2H3,(H,22,26)
InChIKeyRTIJMPBMKCUVCN-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134797549) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134797549
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccsc3)nc3c2cnn3C)cc1
InChIInChI=1S/C21H20N4O2S/c1-25-20-18(12-23-25)17(11-19(24-20)15-8-10-28-13-15)21(26)22-9-7-14-3-5-16(27-2)6-4-14/h3-6,8,10-13H,7,9H2,1-2H3,(H,22,26)
InChIKeyRTIJMPBMKCUVCN-UHFFFAOYSA-N
XLogP3.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134797549) is N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccsc3)nc3c2cnn3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RTIJMPBMKCUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-25-20-18(12-23-25)17(11-19(24-20)15-8-10-28-13-15)21(26)22-9-7-14-3-5-16(27-2)6-4-14/h3-6,8,10-13H,7,9H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134797549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).