1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine

C22H21FN4O2S — CID 12018228

IUPAC1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine
SMILESO=S(c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1)N1CCCCC1
InChIInChI=1S/C22H21FN4O2S/c23-18-9-3-2-7-16(18)15-27-22-17(8-6-12-24-22)21(25-27)19-10-11-20(29-19)30(28)26-13-4-1-5-14-26/h2-3,6-12H,1,4-5,13-15H2
InChIKeyKQKJGGWWURFJGL-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.39
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine

1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 12018228) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID12018228
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine
SMILESO=S(c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1)N1CCCCC1
InChIInChI=1S/C22H21FN4O2S/c23-18-9-3-2-7-16(18)15-27-22-17(8-6-12-24-22)21(25-27)19-10-11-20(29-19)30(28)26-13-4-1-5-14-26/h2-3,6-12H,1,4-5,13-15H2
InChIKeyKQKJGGWWURFJGL-UHFFFAOYSA-N
XLogP4.39
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine (CID 12018228) is 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine is O=S(c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1)N1CCCCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is KQKJGGWWURFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c23-18-9-3-2-7-16(18)15-27-22-17(8-6-12-24-22)21(25-27)19-10-11-20(29-19)30(28)26-13-4-1-5-14-26/h2-3,6-12H,1,4-5,13-15H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 424.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(5-piperidin-1-ylsulfinylfuran-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 12018228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).