5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

C22H25FN6O5S — CID 58074133

IUPAC5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC(Oc3cc(N4CCc5cc(S(C)(=O)=O)cc(F)c54)ncn3)CC2)n1
InChIInChI=1S/C22H25FN6O5S/c1-32-12-18-26-22(34-27-18)28-6-4-15(5-7-28)33-20-11-19(24-13-25-20)29-8-3-14-9-16(35(2,30)31)10-17(23)21(14)29/h9-11,13,15H,3-8,12H2,1-2H3
InChIKeyGAKHJHDULKHXPZ-UHFFFAOYSA-N
MW504.54 g/mol
LogP2.29
Rot. Bonds7

About 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 58074133) has the molecular formula C22H25FN6O5S and a molecular weight of 504.54 g/mol. Its IUPAC name is 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID58074133
Molecular FormulaC22H25FN6O5S
Molecular Weight504.54 g/mol
Exact Mass504.16
IUPAC Name5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC(Oc3cc(N4CCc5cc(S(C)(=O)=O)cc(F)c54)ncn3)CC2)n1
InChIInChI=1S/C22H25FN6O5S/c1-32-12-18-26-22(34-27-18)28-6-4-15(5-7-28)33-20-11-19(24-13-25-20)29-8-3-14-9-16(35(2,30)31)10-17(23)21(14)29/h9-11,13,15H,3-8,12H2,1-2H3
InChIKeyGAKHJHDULKHXPZ-UHFFFAOYSA-N
XLogP2.29
TPSA123.78 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 58074133) is 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(N2CCC(Oc3cc(N4CCc5cc(S(C)(=O)=O)cc(F)c54)ncn3)CC2)n1.
What is the InChIKey of 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is GAKHJHDULKHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O5S/c1-32-12-18-26-22(34-27-18)28-6-4-15(5-7-28)33-20-11-19(24-13-25-20)29-8-3-14-9-16(35(2,30)31)10-17(23)21(14)29/h9-11,13,15H,3-8,12H2,1-2H3.
What are the key properties of 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 504.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(7-fluoro-5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58074133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).