N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C22H22N4OS — CID 55917465

IUPACN-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(C)c2C)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C22H22N4OS/c1-14-7-5-9-20(16(14)3)25(4)22(27)18-11-15(2)24-21-19(18)12-23-26(21)13-17-8-6-10-28-17/h5-12H,13H2,1-4H3
InChIKeyDRXULIKAXQFYBF-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.74
Rot. Bonds4

About N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55917465) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55917465
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(C)c2C)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C22H22N4OS/c1-14-7-5-9-20(16(14)3)25(4)22(27)18-11-15(2)24-21-19(18)12-23-26(21)13-17-8-6-10-28-17/h5-12H,13H2,1-4H3
InChIKeyDRXULIKAXQFYBF-UHFFFAOYSA-N
XLogP4.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55866076
N-[(4-bromothiophen-2-yl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55780922
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78847082
6-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55660500
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55694993
N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545374
N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545378
1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 32679602
6-methyl-N-(2-methyl-5-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408227
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55847628
6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55917465) is N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)c2cccc(C)c2C)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DRXULIKAXQFYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-14-7-5-9-20(16(14)3)25(4)22(27)18-11-15(2)24-21-19(18)12-23-26(21)13-17-8-6-10-28-17/h5-12H,13H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55917465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).