5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one

C93H86F8N16O4 — CID 165018742

About 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one

5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one (PubChem CID 165018742) has the molecular formula C93H86F8N16O4 and a molecular weight of 1643.80 g/mol. Its IUPAC name is 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one.

Molecular Properties

• Compound Name: 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one
• PubChem CID: 165018742
• Molecular Formula: C93H86F8N16O4
• Molecular Weight: 1643.80 g/mol
• Exact Mass: 1642.69
• IUPAC Name: 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one
• SMILES: C=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)nn(C)c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)nn(C)c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(c3)CNC4=O)nn(C)c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(c1)CN=C2c1ccc2c(c1)CNC2=O)N1CCC(F)(F)CC1
• InChI: InChI=1S/C24H22F2N4O.C23H21F2N5O.C23H22F2N4O.C23H21F2N3O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)29(2)28-22(20)18-4-5-19-17(13-18)7-10-27-23(19)31;1-14(30-9-7-23(24,25)8-10-30)15-3-6-19-20(12-15)29(2)28-21(19)16-4-5-18-17(11-16)13-26-27-22(18)31;1-14(29-9-7-23(24,25)8-10-29)15-3-6-19-20(12-15)28(2)27-21(19)16-4-5-18-17(11-16)13-26-22(18)30;1-14(28-8-6-23(24,25)7-9-28)15-2-4-19-17(10-15)12-26-21(19)16-3-5-20-18(11-16)13-27-22(20)29/h3-7,10,13-14H,1,8-9,11-12H2,2H3,(H,27,31);3-6,11-13H,1,7-10H2,2H3,(H,27,31);3-6,11-12H,1,7-10,13H2,2H3,(H,26,30);2-5,10-11H,1,6-9,12-13H2,(H,27,29)
• InChIKey: KVGGXDATCNQQBP-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 215.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.80
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one?

The IUPAC name of 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one (CID 165018742) is 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one.

What is the SMILES notation for 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one?

The canonical SMILES for 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one is C=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)nn(C)c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)nn(C)c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(c3)CNC4=O)nn(C)c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(c1)CN=C2c1ccc2c(c1)CNC2=O)N1CCC(F)(F)CC1.

What is the InChIKey of 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one?

The InChIKey is KVGGXDATCNQQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O.C23H21F2N5O.C23H22F2N4O.C23H21F2N3O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)29(2)28-22(20)18-4-5-19-17(13-18)7-10-27-23(19)31;1-14(30-9-7-23(24,25)8-10-30)15-3-6-19-20(12-15)29(2)28-21(19)16-4-5-18-17(11-16)13-26-27-22(18)31;1-14(29-9-7-23(24,25)8-10-29)15-3-6-19-20(12-15)28(2)27-21(19)16-4-5-18-17(11-16)13-26-22(18)30;1-14(28-8-6-23(24,25)7-9-28)15-2-4-19-17(10-15)12-26-21(19)16-3-5-20-18(11-16)13-27-22(20)29/h3-7,10,13-14H,1,8-9,11-12H2,2H3,(H,27,31);3-6,11-13H,1,7-10H2,2H3,(H,27,31);3-6,11-12H,1,7-10,13H2,2H3,(H,26,30);2-5,10-11H,1,6-9,12-13H2,(H,27,29).

What are the key properties of 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one?

5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one has a molecular weight of 1643.80 g/mol, XLogP of 17.13, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2,3-dihydroisoindol-1-one;5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2,3-dihydroisoindol-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one is sourced from PubChem (CID 165018742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).