3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine

C23H22F2N4OS — CID 121241443

IUPAC3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1c(F)cc(F)cc1-c1[nH]nc2ncc(-c3ccc(CN4CCCCC4)s3)cc12
InChIInChI=1S/C23H22F2N4OS/c1-30-22-17(10-15(24)11-19(22)25)21-18-9-14(12-26-23(18)28-27-21)20-6-5-16(31-20)13-29-7-3-2-4-8-29/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,26,27,28)
InChIKeyZJVJOSQGYPZISS-UHFFFAOYSA-N
MW440.52 g/mol
LogP5.63
Rot. Bonds5

About 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine

3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 121241443) has the molecular formula C23H22F2N4OS and a molecular weight of 440.52 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID121241443
Molecular FormulaC23H22F2N4OS
Molecular Weight440.52 g/mol
Exact Mass440.15
IUPAC Name3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1c(F)cc(F)cc1-c1[nH]nc2ncc(-c3ccc(CN4CCCCC4)s3)cc12
InChIInChI=1S/C23H22F2N4OS/c1-30-22-17(10-15(24)11-19(22)25)21-18-9-14(12-26-23(18)28-27-21)20-6-5-16(31-20)13-29-7-3-2-4-8-29/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,26,27,28)
InChIKeyZJVJOSQGYPZISS-UHFFFAOYSA-N
XLogP5.63
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-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-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 121241443) is 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine is COc1c(F)cc(F)cc1-c1[nH]nc2ncc(-c3ccc(CN4CCCCC4)s3)cc12.
What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZJVJOSQGYPZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4OS/c1-30-22-17(10-15(24)11-19(22)25)21-18-9-14(12-26-23(18)28-27-21)20-6-5-16(31-20)13-29-7-3-2-4-8-29/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,26,27,28).
What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine?
3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 440.52 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 121241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).