N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine

C21H22FN5O2S — CID 110093962

IUPACN-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C21H22FN5O2S/c1-15-13-17(22)5-6-19(15)30(28,29)27-11-7-16(8-12-27)18-3-2-4-20(25-18)26-21-14-23-9-10-24-21/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,24,25,26)
InChIKeyLXRPCNJZXIPRJN-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.63
Rot. Bonds5

About N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine

N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 110093962) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
PubChem CID110093962
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC NameN-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C21H22FN5O2S/c1-15-13-17(22)5-6-19(15)30(28,29)27-11-7-16(8-12-27)18-3-2-4-20(25-18)26-21-14-23-9-10-24-21/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,24,25,26)
InChIKeyLXRPCNJZXIPRJN-UHFFFAOYSA-N
XLogP3.63
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine (CID 110093962) is N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine is Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1.
What is the InChIKey of N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is LXRPCNJZXIPRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-15-13-17(22)5-6-19(15)30(28,29)27-11-7-16(8-12-27)18-3-2-4-20(25-18)26-21-14-23-9-10-24-21/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,24,25,26).
What are the key properties of N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine?
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 110093962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).