N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C17H17N5OS — CID 31766345

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H17N5OS/c1-8-6-12(14-10(3)21-22(5)15(14)19-8)16(23)20-17-13(7-18)9(2)11(4)24-17/h6H,1-5H3,(H,20,23)
InChIKeyHDAGZIADUWOUSQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.39
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 31766345) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID31766345
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H17N5OS/c1-8-6-12(14-10(3)21-22(5)15(14)19-8)16(23)20-17-13(7-18)9(2)11(4)24-17/h6H,1-5H3,(H,20,23)
InChIKeyHDAGZIADUWOUSQ-UHFFFAOYSA-N
XLogP3.39
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 31766345) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is HDAGZIADUWOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-8-6-12(14-10(3)21-22(5)15(14)19-8)16(23)20-17-13(7-18)9(2)11(4)24-17/h6H,1-5H3,(H,20,23).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31766345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).