5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine

C21H21FN6O2S — CID 134327587

IUPAC5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine
SMILESCS(=O)(=O)N1CCC(n2cc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cn2)CC1
InChIInChI=1S/C21H21FN6O2S/c1-31(29,30)27-10-8-15(9-11-27)28-13-14(12-23-28)20-21-19(25-26-20)7-6-18(24-21)16-4-2-3-5-17(16)22/h2-7,12-13,15H,8-11H2,1H3,(H,25,26)
InChIKeyRQVRGIMKPRYWNL-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.22
Rot. Bonds4

About 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine

5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 134327587) has the molecular formula C21H21FN6O2S and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID134327587
Molecular FormulaC21H21FN6O2S
Molecular Weight440.50 g/mol
Exact Mass440.14
IUPAC Name5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine
SMILESCS(=O)(=O)N1CCC(n2cc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cn2)CC1
InChIInChI=1S/C21H21FN6O2S/c1-31(29,30)27-10-8-15(9-11-27)28-13-14(12-23-28)20-21-19(25-26-20)7-6-18(24-21)16-4-2-3-5-17(16)22/h2-7,12-13,15H,8-11H2,1H3,(H,25,26)
InChIKeyRQVRGIMKPRYWNL-UHFFFAOYSA-N
XLogP3.22
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine (CID 134327587) is 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine is CS(=O)(=O)N1CCC(n2cc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cn2)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is RQVRGIMKPRYWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2S/c1-31(29,30)27-10-8-15(9-11-27)28-13-14(12-23-28)20-21-19(25-26-20)7-6-18(24-21)16-4-2-3-5-17(16)22/h2-7,12-13,15H,8-11H2,1H3,(H,25,26).
What are the key properties of 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine?
5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 440.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134327587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).