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

C21H20N4O2S — CID 16591859

IUPAC1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCc3ccccc3OC)cc(-c3cccs3)nc21
InChIInChI=1S/C21H20N4O2S/c1-3-25-20-16(13-23-25)15(11-17(24-20)19-9-6-10-28-19)21(26)22-12-14-7-4-5-8-18(14)27-2/h4-11,13H,3,12H2,1-2H3,(H,22,26)
InChIKeyKTXIPDGUEBKIAM-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.12
Rot. Bonds6

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

1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16591859) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16591859
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NCc3ccccc3OC)cc(-c3cccs3)nc21
InChIInChI=1S/C21H20N4O2S/c1-3-25-20-16(13-23-25)15(11-17(24-20)19-9-6-10-28-19)21(26)22-12-14-7-4-5-8-18(14)27-2/h4-11,13H,3,12H2,1-2H3,(H,22,26)
InChIKeyKTXIPDGUEBKIAM-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16591859) is 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NCc3ccccc3OC)cc(-c3cccs3)nc21.
What is the InChIKey of 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KTXIPDGUEBKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-25-20-16(13-23-25)15(11-17(24-20)19-9-6-10-28-19)21(26)22-12-14-7-4-5-8-18(14)27-2/h4-11,13H,3,12H2,1-2H3,(H,22,26).
What are the key properties of 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-methoxyphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16591859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).