6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine

C22H23FN4O2S — CID 127244691

IUPAC6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESO=S(=O)(Cc1ccccc1F)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C22H23FN4O2S/c23-19-7-2-1-6-18(19)16-30(28,29)27-14-11-17(12-15-27)20-8-5-10-22(25-20)26-21-9-3-4-13-24-21/h1-10,13,17H,11-12,14-16H2,(H,24,25,26)
InChIKeyVDIULPQOZWPBQG-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.07
Rot. Bonds6

About 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine

6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 127244691) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID127244691
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC Name6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine
SMILESO=S(=O)(Cc1ccccc1F)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C22H23FN4O2S/c23-19-7-2-1-6-18(19)16-30(28,29)27-14-11-17(12-15-27)20-8-5-10-22(25-20)26-21-9-3-4-13-24-21/h1-10,13,17H,11-12,14-16H2,(H,24,25,26)
InChIKeyVDIULPQOZWPBQG-UHFFFAOYSA-N
XLogP4.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine (CID 127244691) is 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine is O=S(=O)(Cc1ccccc1F)N1CCC(c2cccc(Nc3ccccn3)n2)CC1.
What is the InChIKey of 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is VDIULPQOZWPBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c23-19-7-2-1-6-18(19)16-30(28,29)27-14-11-17(12-15-27)20-8-5-10-22(25-20)26-21-9-3-4-13-24-21/h1-10,13,17H,11-12,14-16H2,(H,24,25,26).
What are the key properties of 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine?
6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 127244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).