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

C15H16N4O2S — CID 78847082

IUPACN-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCO)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C15H16N4O2S/c1-10-7-12(15(21)16-4-5-20)13-8-17-19(14(13)18-10)9-11-3-2-6-22-11/h2-3,6-8,20H,4-5,9H2,1H3,(H,16,21)
InChIKeyHWVYJVGKLPBVFS-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.57
Rot. Bonds5

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

N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 78847082) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID78847082
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCO)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C15H16N4O2S/c1-10-7-12(15(21)16-4-5-20)13-8-17-19(14(13)18-10)9-11-3-2-6-22-11/h2-3,6-8,20H,4-5,9H2,1H3,(H,16,21)
InChIKeyHWVYJVGKLPBVFS-UHFFFAOYSA-N
XLogP1.57
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 78847082) is N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCO)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is HWVYJVGKLPBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-7-12(15(21)16-4-5-20)13-8-17-19(14(13)18-10)9-11-3-2-6-22-11/h2-3,6-8,20H,4-5,9H2,1H3,(H,16,21).
What are the key properties of N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78847082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).