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

C20H18N4O2S — CID 134792760

IUPAC6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(C(=O)NCc3cccs3)nn(C)c2n1
InChIInChI=1S/C20H18N4O2S/c1-24-19-15(18(23-24)20(25)21-12-13-6-5-11-27-13)9-10-16(22-19)14-7-3-4-8-17(14)26-2/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyRBVQDAICVVADJX-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

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

6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 134792760) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID134792760
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(C(=O)NCc3cccs3)nn(C)c2n1
InChIInChI=1S/C20H18N4O2S/c1-24-19-15(18(23-24)20(25)21-12-13-6-5-11-27-13)9-10-16(22-19)14-7-3-4-8-17(14)26-2/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyRBVQDAICVVADJX-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-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 134792760) is 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is COc1ccccc1-c1ccc2c(C(=O)NCc3cccs3)nn(C)c2n1.
What is the InChIKey of 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is RBVQDAICVVADJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-19-15(18(23-24)20(25)21-12-13-6-5-11-27-13)9-10-16(22-19)14-7-3-4-8-17(14)26-2/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of 6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
6-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-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-(2-methoxyphenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 134792760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).