5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine

C21H22FN5O2S — CID 138712041

IUPAC5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3cccnc3S(=O)CCN3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H22FN5O2S/c22-18-12-15(3-4-17(18)19-13-26-20(23)14-25-19)16-2-1-5-24-21(16)30(28)11-8-27-6-9-29-10-7-27/h1-5,12-14H,6-11H2,(H2,23,26)
InChIKeyCBODGLKDOXFGLV-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.37
Rot. Bonds6

About 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine (PubChem CID 138712041) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
PubChem CID138712041
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC Name5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3cccnc3S(=O)CCN3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H22FN5O2S/c22-18-12-15(3-4-17(18)19-13-26-20(23)14-25-19)16-2-1-5-24-21(16)30(28)11-8-27-6-9-29-10-7-27/h1-5,12-14H,6-11H2,(H2,23,26)
InChIKeyCBODGLKDOXFGLV-UHFFFAOYSA-N
XLogP2.37
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine (CID 138712041) is 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3cccnc3S(=O)CCN3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine?
The InChIKey is CBODGLKDOXFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c22-18-12-15(3-4-17(18)19-13-26-20(23)14-25-19)16-2-1-5-24-21(16)30(28)11-8-27-6-9-29-10-7-27/h1-5,12-14H,6-11H2,(H2,23,26).
What are the key properties of 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(2-morpholin-4-ylethylsulfinyl)-3-pyridinyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 138712041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).