6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

C124H150F28N14O8 — CID 167650036

IUPAC6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
SMILESCC(C)N1Cc2c(cc(C(F)(F)CO)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3C4CCC3CC4)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)CC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N(C)C3CNCC3F)cc2C(F)(F)F)C1=O.CC(c1cc2c(c(C(F)(F)F)c1)CN(C(C)C)C2=O)N1CCC(C)(F)CC1.CCC(c1cc2c(c(C(F)(F)F)c1)CN(C(C)C)C2=O)N1CCC(F)C1
InChIInChI=1S/C20H26F4N2O.C19H24F4N2O.C19H23F3N2O.C18H22F4N2O.C17H21F4N3O.C17H20F4N2O.C14H14F5NO2/c1-12(2)26-11-16-15(18(26)27)9-14(10-17(16)20(22,23)24)13(3)25-7-5-19(4,21)6-8-25;1-4-17(24-6-5-13(20)9-24)12-7-14-15(16(8-12)19(21,22)23)10-25(11(2)3)18(14)26;1-11(2)23-10-16-15(18(23)25)7-12(8-17(16)19(20,21)22)9-24-13-3-4-14(24)6-5-13;1-11(2)24-10-15-14(17(24)25)7-12(8-16(15)18(20,21)22)9-23-5-3-13(19)4-6-23;1-9(2)24-8-12-11(16(24)25)4-10(5-13(12)17(19,20)21)23(3)15-7-22-6-14(15)18;1-10(2)23-9-14-13(16(23)24)5-11(6-15(14)17(19,20)21)7-22-4-3-12(18)8-22;1-7(2)20-5-10-9(12(20)22)3-8(13(15,16)6-21)4-11(10)14(17,18)19/h9-10,12-13H,5-8,11H2,1-4H3;7-8,11,13,17H,4-6,9-10H2,1-3H3;7-8,11,13-14H,3-6,9-10H2,1-2H3;7-8,11,13H,3-6,9-10H2,1-2H3;4-5,9,14-15,22H,6-8H2,1-3H3;5-6,10,12H,3-4,7-9H2,1-2H3;3-4,7,21H,5-6H2,1-2H3
InChIKeyQLCMONVLQXBHFQ-UHFFFAOYSA-N
MW2496.60 g/mol
LogP27.30
Rot. Bonds22

About 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 167650036) has the molecular formula C124H150F28N14O8 and a molecular weight of 2496.60 g/mol. Its IUPAC name is 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
PubChem CID167650036
Molecular FormulaC124H150F28N14O8
Molecular Weight2496.60 g/mol
Exact Mass2495.13
IUPAC Name6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
SMILESCC(C)N1Cc2c(cc(C(F)(F)CO)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3C4CCC3CC4)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)CC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N(C)C3CNCC3F)cc2C(F)(F)F)C1=O.CC(c1cc2c(c(C(F)(F)F)c1)CN(C(C)C)C2=O)N1CCC(C)(F)CC1.CCC(c1cc2c(c(C(F)(F)F)c1)CN(C(C)C)C2=O)N1CCC(F)C1
InChIInChI=1S/C20H26F4N2O.C19H24F4N2O.C19H23F3N2O.C18H22F4N2O.C17H21F4N3O.C17H20F4N2O.C14H14F5NO2/c1-12(2)26-11-16-15(18(26)27)9-14(10-17(16)20(22,23)24)13(3)25-7-5-19(4,21)6-8-25;1-4-17(24-6-5-13(20)9-24)12-7-14-15(16(8-12)19(21,22)23)10-25(11(2)3)18(14)26;1-11(2)23-10-16-15(18(23)25)7-12(8-17(16)19(20,21)22)9-24-13-3-4-14(24)6-5-13;1-11(2)24-10-15-14(17(24)25)7-12(8-16(15)18(20,21)22)9-23-5-3-13(19)4-6-23;1-9(2)24-8-12-11(16(24)25)4-10(5-13(12)17(19,20)21)23(3)15-7-22-6-14(15)18;1-10(2)23-9-14-13(16(23)24)5-11(6-15(14)17(19,20)21)7-22-4-3-12(18)8-22;1-7(2)20-5-10-9(12(20)22)3-8(13(15,16)6-21)4-11(10)14(17,18)19/h9-10,12-13H,5-8,11H2,1-4H3;7-8,11,13,17H,4-6,9-10H2,1-3H3;7-8,11,13-14H,3-6,9-10H2,1-2H3;7-8,11,13H,3-6,9-10H2,1-2H3;4-5,9,14-15,22H,6-8H2,1-3H3;5-6,10,12H,3-4,7-9H2,1-2H3;3-4,7,21H,5-6H2,1-2H3
InChIKeyQLCMONVLQXBHFQ-UHFFFAOYSA-N
XLogP27.30
TPSA193.87 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.60
LogP ≤ 527.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one with MolForge

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Related Compounds

6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378939
6-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378618
6-[(3-ethoxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165379126
6-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;4-(2-fluoropropan-2-yl)-2-propan-2-yl-3H-isoindol-1-one;6-(2-hydroxypropan-2-yl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(4-methyl-2-oxopiperazin-1-yl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[methyl(pyrrolidin-3-yl)amino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-propan-2-yl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167634270
6-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360441
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-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378724
6-(4,4-difluorocycloheptyl)oxy-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165379239
6-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165379188
6-[[(3S,4R)-4-fluoropyrrolidin-3-yl]-methylamino]-4-(trifluoromethyl)-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one
CID 162574119
6-(1-imidazol-1-ylethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165379221
6-[(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360231

Frequently Asked Questions

What is the IUPAC name of 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
The IUPAC name of 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (CID 167650036) is 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is CC(C)N1Cc2c(cc(C(F)(F)CO)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3C4CCC3CC4)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCC(F)CC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N(C)C3CNCC3F)cc2C(F)(F)F)C1=O.CC(c1cc2c(c(C(F)(F)F)c1)CN(C(C)C)C2=O)N1CCC(C)(F)CC1.CCC(c1cc2c(c(C(F)(F)F)c1)CN(C(C)C)C2=O)N1CCC(F)C1.
What is the InChIKey of 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
The InChIKey is QLCMONVLQXBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F4N2O.C19H24F4N2O.C19H23F3N2O.C18H22F4N2O.C17H21F4N3O.C17H20F4N2O.C14H14F5NO2/c1-12(2)26-11-16-15(18(26)27)9-14(10-17(16)20(22,23)24)13(3)25-7-5-19(4,21)6-8-25;1-4-17(24-6-5-13(20)9-24)12-7-14-15(16(8-12)19(21,22)23)10-25(11(2)3)18(14)26;1-11(2)23-10-16-15(18(23)25)7-12(8-17(16)19(20,21)22)9-24-13-3-4-14(24)6-5-13;1-11(2)24-10-15-14(17(24)25)7-12(8-16(15)18(20,21)22)9-23-5-3-13(19)4-6-23;1-9(2)24-8-12-11(16(24)25)4-10(5-13(12)17(19,20)21)23(3)15-7-22-6-14(15)18;1-10(2)23-9-14-13(16(23)24)5-11(6-15(14)17(19,20)21)7-22-4-3-12(18)8-22;1-7(2)20-5-10-9(12(20)22)3-8(13(15,16)6-21)4-11(10)14(17,18)19/h9-10,12-13H,5-8,11H2,1-4H3;7-8,11,13,17H,4-6,9-10H2,1-3H3;7-8,11,13-14H,3-6,9-10H2,1-2H3;7-8,11,13H,3-6,9-10H2,1-2H3;4-5,9,14-15,22H,6-8H2,1-3H3;5-6,10,12H,3-4,7-9H2,1-2H3;3-4,7,21H,5-6H2,1-2H3.
What are the key properties of 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?
6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 2496.60 g/mol, XLogP of 27.30, 22 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(1,1-difluoro-2-hydroxyethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(4-fluoro-4-methylpiperidin-1-yl)ethyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoropyrrolidin-3-yl)-methylamino]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-fluoropyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[1-(3-fluoropyrrolidin-1-yl)propyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 167650036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).