1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C17H16N6O2S — CID 131893193

IUPAC1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2noc(-c3cccs3)n2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H16N6O2S/c1-9-7-11(14-10(2)21-23(3)15(14)19-9)16(24)18-8-13-20-17(25-22-13)12-5-4-6-26-12/h4-7H,8H2,1-3H3,(H,18,24)
InChIKeyYBPNMIZLHUFWLL-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.63
Rot. Bonds4

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

1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 131893193) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID131893193
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2noc(-c3cccs3)n2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H16N6O2S/c1-9-7-11(14-10(2)21-23(3)15(14)19-9)16(24)18-8-13-20-17(25-22-13)12-5-4-6-26-12/h4-7H,8H2,1-3H3,(H,18,24)
InChIKeyYBPNMIZLHUFWLL-UHFFFAOYSA-N
XLogP2.63
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139006071
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 122133107
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38285036
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 131893193) is 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2noc(-c3cccs3)n2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is YBPNMIZLHUFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-9-7-11(14-10(2)21-23(3)15(14)19-9)16(24)18-8-13-20-17(25-22-13)12-5-4-6-26-12/h4-7H,8H2,1-3H3,(H,18,24).
What are the key properties of 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 131893193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).