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

C140H156F25N17O10 — CID 167702055

IUPAC6-(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
SMILESCC(C)N1Cc2c(cc(CN3CCC(CO)C(F)(F)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)(F)C(O)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC4CC4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4ccccc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4cccnc4C3)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.2C21H22F3N3O.C20H22F3N3O2.C19H23F5N2O2.C19H23F3N2O.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;1-13(2)27-11-17-16(20(27)28)8-14(9-18(17)21(22,23)24)10-26-7-5-15-4-3-6-25-19(15)12-26;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;1-11(2)26-8-15-14(17(26)28)5-12(6-16(15)19(22,23)24)7-25-4-3-13(9-27)18(20,21)10-25;1-11(2)24-10-16-15(18(24)25)5-12(6-17(16)19(20,21)22)8-23-4-3-13-7-14(13)9-23;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;3-4,6,8-9,13H,5,7,10-12H2,1-2H3;6-7,11H,4-5,8-10H2,1-3H3;5-6,11,13,27H,3-4,7-10H2,1-2H3;5-6,11,13-14H,3-4,7-10H2,1-2H3;5-6,10,15,26H,3-4,7-9H2,1-2H3
InChIKeyYNRIOQXWTCLEJQ-UHFFFAOYSA-N
MW2711.85 g/mol
LogP27.30
Rot. Bonds22

About 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

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 (PubChem CID 167702055) has the molecular formula C140H156F25N17O10 and a molecular weight of 2711.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID167702055
Molecular FormulaC140H156F25N17O10
Molecular Weight2711.85 g/mol
Exact Mass2710.18
IUPAC Name6-(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
SMILESCC(C)N1Cc2c(cc(CN3CCC(CO)C(F)(F)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)(F)C(O)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC4CC4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4ccccc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4cccnc4C3)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.2C21H22F3N3O.C20H22F3N3O2.C19H23F5N2O2.C19H23F3N2O.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;1-13(2)27-11-17-16(20(27)28)8-14(9-18(17)21(22,23)24)10-26-7-5-15-4-3-6-25-19(15)12-26;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;1-11(2)26-8-15-14(17(26)28)5-12(6-16(15)19(22,23)24)7-25-4-3-13(9-27)18(20,21)10-25;1-11(2)24-10-16-15(18(24)25)5-12(6-17(16)19(20,21)22)8-23-4-3-13-7-14(13)9-23;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;3-4,6,8-9,13H,5,7,10-12H2,1-2H3;6-7,11H,4-5,8-10H2,1-3H3;5-6,11,13,27H,3-4,7-10H2,1-2H3;5-6,11,13-14H,3-4,7-10H2,1-2H3;5-6,10,15,26H,3-4,7-9H2,1-2H3
InChIKeyYNRIOQXWTCLEJQ-UHFFFAOYSA-N
XLogP27.30
TPSA257.12 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002711.85
LogP ≤ 527.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

6-(3-azabicyclo[4.1.0]heptan-3-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(6-azaspiro[2.5]octan-6-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-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-isocyano-4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167563698
6-(3-azabicyclo[4.1.0]heptan-3-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(6-azaspiro[2.5]octan-6-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-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-isocyano-4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-methylpiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167580755
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-[(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
2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide
CID 162052344

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1Cc2c(cc(CN3CCC(CO)C(F)(F)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)(F)C(O)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC4CC4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4ccccc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCc4cccnc4C3)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-(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?
The InChIKey is YNRIOQXWTCLEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O.2C21H22F3N3O.C20H22F3N3O2.C19H23F5N2O2.C19H23F3N2O.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;1-13(2)27-11-17-16(20(27)28)8-14(9-18(17)21(22,23)24)10-26-7-5-15-4-3-6-25-19(15)12-26;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;1-11(2)26-8-15-14(17(26)28)5-12(6-16(15)19(22,23)24)7-25-4-3-13(9-27)18(20,21)10-25;1-11(2)24-10-16-15(18(24)25)5-12(6-17(16)19(20,21)22)8-23-4-3-13-7-14(13)9-23;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;3-4,6,8-9,13H,5,7,10-12H2,1-2H3;6-7,11H,4-5,8-10H2,1-3H3;5-6,11,13,27H,3-4,7-10H2,1-2H3;5-6,11,13-14H,3-4,7-10H2,1-2H3;5-6,10,15,26H,3-4,7-9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2711.85 g/mol, XLogP of 27.30, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167702055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).