3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C23H24N4OS — CID 20901457

IUPAC3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)NCCc4sccc4C)cc(C)nc32)cc1
InChIInChI=1S/C23H24N4OS/c1-14-5-7-18(8-6-14)27-22-21(17(4)26-27)19(13-16(3)25-22)23(28)24-11-9-20-15(2)10-12-29-20/h5-8,10,12-13H,9,11H2,1-4H3,(H,24,28)
InChIKeyYEEPFGBHHYXKBA-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.69
Rot. Bonds5

About 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20901457) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20901457
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)NCCc4sccc4C)cc(C)nc32)cc1
InChIInChI=1S/C23H24N4OS/c1-14-5-7-18(8-6-14)27-22-21(17(4)26-27)19(13-16(3)25-22)23(28)24-11-9-20-15(2)10-12-29-20/h5-8,10,12-13H,9,11H2,1-4H3,(H,24,28)
InChIKeyYEEPFGBHHYXKBA-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20901457) is 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)NCCc4sccc4C)cc(C)nc32)cc1.
What is the InChIKey of 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is YEEPFGBHHYXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-14-5-7-18(8-6-14)27-22-21(17(4)26-27)19(13-16(3)25-22)23(28)24-11-9-20-15(2)10-12-29-20/h5-8,10,12-13H,9,11H2,1-4H3,(H,24,28).
What are the key properties of 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20901457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).