8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one

C90H98F4N20O8S — CID 158115726

About 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one

8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one (PubChem CID 158115726) has the molecular formula C90H98F4N20O8S and a molecular weight of 1695.96 g/mol. Its IUPAC name is 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one
• PubChem CID: 158115726
• Molecular Formula: C90H98F4N20O8S
• Molecular Weight: 1695.96 g/mol
• Exact Mass: 1694.75
• IUPAC Name: 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one
• SMILES: CC(=O)N1C(C)C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1C.CC1C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1.CC1C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1S(C)(=O)=O.CN1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1=O
• InChI: InChI=1S/C24H26FN5O2.C23H26FN5O3S.C22H24FN5O.C21H22FN5O2/c1-14-10-17(11-15(2)30(14)16(3)31)20-12-26-23(29-13-27-28-24(20)29)7-4-18-19-8-9-32-22(19)6-5-21(18)25;1-14-10-16(11-15(2)29(14)33(3,30)31)19-12-25-22(28-13-26-27-23(19)28)7-4-17-18-8-9-32-21(18)6-5-20(17)24;1-13-9-15(10-14(2)26-13)18-11-24-21(28-12-25-27-22(18)28)6-3-16-17-7-8-29-20(17)5-4-19(16)23;1-26-8-6-13(10-20(26)28)16-11-23-19(27-12-24-25-21(16)27)5-2-14-15-7-9-29-18(15)4-3-17(14)22/h5-6,10,12-15H,4,7-9,11H2,1-3H3;5-6,10,12-15H,4,7-9,11H2,1-3H3;4-5,9,11-14,26H,3,6-8,10H2,1-2H3;3-4,11-13H,2,5-10H2,1H3
• InChIKey: FQZCAMWENULVMT-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 299.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.96
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one?

The IUPAC name of 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one (CID 158115726) is 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one.

What is the SMILES notation for 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one?

The canonical SMILES for 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one is CC(=O)N1C(C)C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1C.CC1C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1.CC1C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1S(C)(=O)=O.CN1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1=O.

What is the InChIKey of 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one?

The InChIKey is FQZCAMWENULVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2.C23H26FN5O3S.C22H24FN5O.C21H22FN5O2/c1-14-10-17(11-15(2)30(14)16(3)31)20-12-26-23(29-13-27-28-24(20)29)7-4-18-19-8-9-32-22(19)6-5-21(18)25;1-14-10-16(11-15(2)29(14)33(3,30)31)19-12-25-22(28-13-26-27-23(19)28)7-4-17-18-8-9-32-21(18)6-5-20(17)24;1-13-9-15(10-14(2)26-13)18-11-24-21(28-12-25-27-22(18)28)6-3-16-17-7-8-29-20(17)5-4-19(16)23;1-26-8-6-13(10-20(26)28)16-11-23-19(27-12-24-25-21(16)27)5-2-14-15-7-9-29-18(15)4-3-17(14)22/h5-6,10,12-15H,4,7-9,11H2,1-3H3;5-6,10,12-15H,4,7-9,11H2,1-3H3;4-5,9,11-14,26H,3,6-8,10H2,1-2H3;3-4,11-13H,2,5-10H2,1H3.

What are the key properties of 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one?

8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one has a molecular weight of 1695.96 g/mol, XLogP of 11.66, 17 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 158115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).