6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

C121H134F20N18O8 — CID 167667985

IUPAC6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
SMILESCC(C)N1Cc2c(cc(CN3CCC(F)(F)C(O)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCc4c3cnn4C)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCc4nn(C)cc43)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4ccccc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4cnccc4C3)cc2C(F)(F)F)C1=O.Cc1nc2c(o1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2
InChIInChI=1S/C22H23F3N2O.C21H22F3N3O.2C20H23F3N4O.C20H22F3N3O2.C18H21F5N2O2/c1-14(2)27-13-19-18(21(27)28)9-15(10-20(19)22(23,24)25)11-26-8-7-16-5-3-4-6-17(16)12-26;1-13(2)27-12-18-17(20(27)28)7-14(8-19(18)21(22,23)24)10-26-6-4-15-9-25-5-3-16(15)11-26;1-12(2)27-11-15-14(19(27)28)7-13(8-16(15)20(21,22)23)10-26-6-4-5-17-18(26)9-24-25(17)3;1-12(2)27-10-15-14(19(27)28)7-13(8-16(15)20(21,22)23)9-26-6-4-5-17-18(26)11-25(3)24-17;1-11(2)26-9-15-14(19(26)27)6-13(7-16(15)20(21,22)23)8-25-5-4-17-18(10-25)28-12(3)24-17;1-10(2)25-8-13-12(16(25)27)5-11(6-14(13)18(21,22)23)7-24-4-3-17(19,20)15(26)9-24/h3-6,9-10,14H,7-8,11-13H2,1-2H3;3,5,7-9,13H,4,6,10-12H2,1-2H3;7-9,12H,4-6,10-11H2,1-3H3;7-8,11-12H,4-6,9-10H2,1-3H3;6-7,11H,4-5,8-10H2,1-3H3;5-6,10,15,26H,3-4,7-9H2,1-2H3
InChIKeySXLGYURGMVOFEM-UHFFFAOYSA-N
MW2348.48 g/mol
LogP23.36
Rot. Bonds18

About 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 167667985) has the molecular formula C121H134F20N18O8 and a molecular weight of 2348.48 g/mol. Its IUPAC name is 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
PubChem CID167667985
Molecular FormulaC121H134F20N18O8
Molecular Weight2348.48 g/mol
Exact Mass2347.03
IUPAC Name6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
SMILESCC(C)N1Cc2c(cc(CN3CCC(F)(F)C(O)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCc4c3cnn4C)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCc4nn(C)cc43)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4ccccc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4cnccc4C3)cc2C(F)(F)F)C1=O.Cc1nc2c(o1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2
InChIInChI=1S/C22H23F3N2O.C21H22F3N3O.2C20H23F3N4O.C20H22F3N3O2.C18H21F5N2O2/c1-14(2)27-13-19-18(21(27)28)9-15(10-20(19)22(23,24)25)11-26-8-7-16-5-3-4-6-17(16)12-26;1-13(2)27-12-18-17(20(27)28)7-14(8-19(18)21(22,23)24)10-26-6-4-15-9-25-5-3-16(15)11-26;1-12(2)27-11-15-14(19(27)28)7-13(8-16(15)20(21,22)23)10-26-6-4-5-17-18(26)9-24-25(17)3;1-12(2)27-10-15-14(19(27)28)7-13(8-16(15)20(21,22)23)9-26-6-4-5-17-18(26)11-25(3)24-17;1-11(2)26-9-15-14(19(26)27)6-13(7-16(15)20(21,22)23)8-25-5-4-17-18(10-25)28-12(3)24-17;1-10(2)25-8-13-12(16(25)27)5-11(6-14(13)18(21,22)23)7-24-4-3-17(19,20)15(26)9-24/h3-6,9-10,14H,7-8,11-13H2,1-2H3;3,5,7-9,13H,4,6,10-12H2,1-2H3;7-9,12H,4-6,10-11H2,1-3H3;7-8,11-12H,4-6,9-10H2,1-3H3;6-7,11H,4-5,8-10H2,1-3H3;5-6,10,15,26H,3-4,7-9H2,1-2H3
InChIKeySXLGYURGMVOFEM-UHFFFAOYSA-N
XLogP23.36
TPSA236.09 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.48
LogP ≤ 523.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one with MolForge

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Related Compounds

6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
CID 163558772
6-(1,3-dihydroisoindol-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167666770
6-(3-azabicyclo[4.1.0]heptan-3-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167702055
5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1S)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(6-methyl-3-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158185228
1-[1-[1-(2-Fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 161060459

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
The IUPAC name of 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (CID 167667985) is 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is CC(C)N1Cc2c(cc(CN3CCC(F)(F)C(O)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCc4c3cnn4C)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCc4nn(C)cc43)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4ccccc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4cnccc4C3)cc2C(F)(F)F)C1=O.Cc1nc2c(o1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2.
What is the InChIKey of 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
The InChIKey is SXLGYURGMVOFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O.C21H22F3N3O.2C20H23F3N4O.C20H22F3N3O2.C18H21F5N2O2/c1-14(2)27-13-19-18(21(27)28)9-15(10-20(19)22(23,24)25)11-26-8-7-16-5-3-4-6-17(16)12-26;1-13(2)27-12-18-17(20(27)28)7-14(8-19(18)21(22,23)24)10-26-6-4-15-9-25-5-3-16(15)11-26;1-12(2)27-11-15-14(19(27)28)7-13(8-16(15)20(21,22)23)10-26-6-4-5-17-18(26)9-24-25(17)3;1-12(2)27-10-15-14(19(27)28)7-13(8-16(15)20(21,22)23)9-26-6-4-5-17-18(26)11-25(3)24-17;1-11(2)26-9-15-14(19(26)27)6-13(7-16(15)20(21,22)23)8-25-5-4-17-18(10-25)28-12(3)24-17;1-10(2)25-8-13-12(16(25)27)5-11(6-14(13)18(21,22)23)7-24-4-3-17(19,20)15(26)9-24/h3-6,9-10,14H,7-8,11-13H2,1-2H3;3,5,7-9,13H,4,6,10-12H2,1-2H3;7-9,12H,4-6,10-11H2,1-3H3;7-8,11-12H,4-6,9-10H2,1-3H3;6-7,11H,4-5,8-10H2,1-3H3;5-6,10,15,26H,3-4,7-9H2,1-2H3.
What are the key properties of 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 2348.48 g/mol, XLogP of 23.36, 18 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 167667985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).