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

C92H85F8N17O4 — CID 167700649

IUPAC5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one
SMILESC=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)n(C)nc2c1)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)n[nH]c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(c3)CNC4=O)nn(C)c2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H22F2N4O.C23H21F2N5O.C23H22F2N4O.C22H20F2N4O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)28-29(2)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;1-13(28-8-6-22(23,24)7-9-28)14-2-5-18-19(11-14)26-27-20(18)15-3-4-17-16(10-15)12-25-21(17)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,1,6-9,12H2,(H,25,29)(H,26,27)
InChIKeyYIICGNGCQNVHBJ-UHFFFAOYSA-N
MW1644.79 g/mol
LogP17.32
Rot. Bonds12

About 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 167700649) has the molecular formula C92H85F8N17O4 and a molecular weight of 1644.79 g/mol. Its IUPAC name is 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 Name5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 CID167700649
Molecular FormulaC92H85F8N17O4
Molecular Weight1644.79 g/mol
Exact Mass1643.68
IUPAC Name5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one
SMILESC=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)n(C)nc2c1)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)n[nH]c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(c3)CNC4=O)nn(C)c2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H22F2N4O.C23H21F2N5O.C23H22F2N4O.C22H20F2N4O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)28-29(2)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;1-13(28-8-6-22(23,24)7-9-28)14-2-5-18-19(11-14)26-27-20(18)15-3-4-17-16(10-15)12-25-21(17)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,1,6-9,12H2,(H,25,29)(H,26,27)
InChIKeyYIICGNGCQNVHBJ-UHFFFAOYSA-N
XLogP17.32
TPSA231.91 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.79
LogP ≤ 517.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-methylindazol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-phthalazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 167700649) is 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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)n(C)nc2c1)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)n[nH]c2c1)N1CCC(F)(F)CC1.C=C(c1ccc2c(-c3ccc4c(c3)CNC4=O)nn(C)c2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 YIICGNGCQNVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O.C23H21F2N5O.C23H22F2N4O.C22H20F2N4O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)28-29(2)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;1-13(28-8-6-22(23,24)7-9-28)14-2-5-18-19(11-14)26-27-20(18)15-3-4-17-16(10-15)12-25-21(17)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,1,6-9,12H2,(H,25,29)(H,26,27).
What are the key properties of 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 1644.79 g/mol, XLogP of 17.32, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-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]-2-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 167700649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).