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

C23H24N4OS — CID 2409032

IUPACN,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C
InChIInChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
InChIKeySFKDMBHAUPXODT-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.25
Rot. Bonds5

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

N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 2409032) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID2409032
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC NameN,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C
InChIInChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3
InChIKeySFKDMBHAUPXODT-UHFFFAOYSA-N
XLogP5.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 2409032) is N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C.
What is the InChIKey of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SFKDMBHAUPXODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3/h7-14H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 2409032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).