N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H24N4O2S — CID 55886856

IUPACN-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H24N4O2S/c1-14(2)27-22-17(13-24-27)16(12-18(25-22)21-11-10-15(3)30-21)23(28)26(4)19-8-6-7-9-20(19)29-5/h6-14H,1-5H3
InChIKeyQGIZQHVAZFSPME-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.33
Rot. Bonds5

About N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55886856) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55886856
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
InChIInChI=1S/C23H24N4O2S/c1-14(2)27-22-17(13-24-27)16(12-18(25-22)21-11-10-15(3)30-21)23(28)26(4)19-8-6-7-9-20(19)29-5/h6-14H,1-5H3
InChIKeyQGIZQHVAZFSPME-UHFFFAOYSA-N
XLogP5.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55886856) is N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1N(C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QGIZQHVAZFSPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-14(2)27-22-17(13-24-27)16(12-18(25-22)21-11-10-15(3)30-21)23(28)26(4)19-8-6-7-9-20(19)29-5/h6-14H,1-5H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55886856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).