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

C20H18N4O2S — CID 134798509

IUPAC6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccs3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C20H18N4O2S/c1-24-19-17(12-22-24)16(20(25)21-11-15-4-3-9-27-15)10-18(23-19)13-5-7-14(26-2)8-6-13/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyXDQWSSSRAJEZMC-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

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

6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134798509) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134798509
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccs3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C20H18N4O2S/c1-24-19-17(12-22-24)16(20(25)21-11-15-4-3-9-27-15)10-18(23-19)13-5-7-14(26-2)8-6-13/h3-10,12H,11H2,1-2H3,(H,21,25)
InChIKeyXDQWSSSRAJEZMC-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134798509) is 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccs3)c3cnn(C)c3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XDQWSSSRAJEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-19-17(12-22-24)16(20(25)21-11-15-4-3-9-27-15)10-18(23-19)13-5-7-14(26-2)8-6-13/h3-10,12H,11H2,1-2H3,(H,21,25).
What are the key properties of 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134798509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).