3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine

C16H18N4S — CID 92572025

IUPAC3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2n[nH]c(C3CCN(Cc4ccsc4)CC3)c2c1
InChIInChI=1S/C16H18N4S/c1-2-14-15(18-19-16(14)17-6-1)13-3-7-20(8-4-13)10-12-5-9-21-11-12/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H,17,18,19)
InChIKeyPMBQCVJITZBYBW-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.40
Rot. Bonds3

About 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine

3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 92572025) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID92572025
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2n[nH]c(C3CCN(Cc4ccsc4)CC3)c2c1
InChIInChI=1S/C16H18N4S/c1-2-14-15(18-19-16(14)17-6-1)13-3-7-20(8-4-13)10-12-5-9-21-11-12/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H,17,18,19)
InChIKeyPMBQCVJITZBYBW-UHFFFAOYSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine (CID 92572025) is 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine is c1cnc2n[nH]c(C3CCN(Cc4ccsc4)CC3)c2c1.
What is the InChIKey of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is PMBQCVJITZBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-14-15(18-19-16(14)17-6-1)13-3-7-20(8-4-13)10-12-5-9-21-11-12/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H,17,18,19).
What are the key properties of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 298.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 92572025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).