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

C134H164F22N16O13S — CID 167634270

IUPAC6-(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
SMILESCC(C)N1Cc2c(cc(C(C)(C)O)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CC3CCNC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CC4CC4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCC34COC4)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCS(=O)(=O)CC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N(C)C3CCNC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N3CCN(C)CC3=O)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cccc2C(C)(C)F)C1=O
InChIInChI=1S/C19H23F3N2O2.C18H21F3N2O.C17H20F3N3O2.C17H22F3N3O.C17H21F3N2O3S.C17H21F3N2O.C15H18F3NO2.C14H18FNO/c1-12(2)24-9-15-14(17(24)25)6-13(7-16(15)19(20,21)22)8-23-5-3-4-18(23)10-26-11-18;1-10(2)23-9-15-14(17(23)24)3-11(4-16(15)18(19,20)21)6-22-7-12-5-13(12)8-22;1-10(2)23-8-13-12(16(23)25)6-11(7-14(13)17(18,19)20)22-5-4-21(3)9-15(22)24;1-10(2)23-9-14-13(16(23)24)6-12(7-15(14)17(18,19)20)22(3)11-4-5-21-8-11;1-11(2)22-10-14-13(16(22)23)7-12(8-15(14)17(18,19)20)9-21-3-5-26(24,25)6-4-21;1-10(2)22-9-14-13(16(22)23)6-12(5-11-3-4-21-8-11)7-15(14)17(18,19)20;1-8(2)19-7-11-10(13(19)20)5-9(14(3,4)21)6-12(11)15(16,17)18;1-9(2)16-8-11-10(13(16)17)6-5-7-12(11)14(3,4)15/h6-7,12H,3-5,8-11H2,1-2H3;3-4,10,12-13H,5-9H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,10-11,21H,4-5,8-9H2,1-3H3;7-8,11H,3-6,9-10H2,1-2H3;6-7,10-11,21H,3-5,8-9H2,1-2H3;5-6,8,21H,7H2,1-4H3;5-7,9H,8H2,1-4H3
InChIKeyOGBXKPMSAUXLHG-UHFFFAOYSA-N
MW2656.91 g/mol
LogP24.25
Rot. Bonds21

About 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

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 (PubChem CID 167634270) has the molecular formula C134H164F22N16O13S and a molecular weight of 2656.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID167634270
Molecular FormulaC134H164F22N16O13S
Molecular Weight2656.91 g/mol
Exact Mass2655.20
IUPAC Name6-(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
SMILESCC(C)N1Cc2c(cc(C(C)(C)O)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CC3CCNC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CC4CC4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCC34COC4)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCS(=O)(=O)CC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N(C)C3CCNC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N3CCN(C)CC3=O)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cccc2C(C)(C)F)C1=O
InChIInChI=1S/C19H23F3N2O2.C18H21F3N2O.C17H20F3N3O2.C17H22F3N3O.C17H21F3N2O3S.C17H21F3N2O.C15H18F3NO2.C14H18FNO/c1-12(2)24-9-15-14(17(24)25)6-13(7-16(15)19(20,21)22)8-23-5-3-4-18(23)10-26-11-18;1-10(2)23-9-15-14(17(23)24)3-11(4-16(15)18(19,20)21)6-22-7-12-5-13(12)8-22;1-10(2)23-8-13-12(16(23)25)6-11(7-14(13)17(18,19)20)22-5-4-21(3)9-15(22)24;1-10(2)23-9-14-13(16(23)24)6-12(7-15(14)17(18,19)20)22(3)11-4-5-21-8-11;1-11(2)22-10-14-13(16(22)23)7-12(8-15(14)17(18,19)20)9-21-3-5-26(24,25)6-4-21;1-10(2)22-9-14-13(16(22)23)6-12(5-11-3-4-21-8-11)7-15(14)17(18,19)20;1-8(2)19-7-11-10(13(19)20)5-9(14(3,4)21)6-12(11)15(16,17)18;1-9(2)16-8-11-10(13(16)17)6-5-7-12(11)14(3,4)15/h6-7,12H,3-5,8-11H2,1-2H3;3-4,10,12-13H,5-9H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,10-11,21H,4-5,8-9H2,1-3H3;7-8,11H,3-6,9-10H2,1-2H3;6-7,10-11,21H,3-5,8-9H2,1-2H3;5-6,8,21H,7H2,1-4H3;5-7,9H,8H2,1-4H3
InChIKeyOGBXKPMSAUXLHG-UHFFFAOYSA-N
XLogP24.25
TPSA286.65 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002656.91
LogP ≤ 524.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1Cc2c(cc(C(C)(C)O)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CC3CCNC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CC4CC4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCCC34COC4)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3CCS(=O)(=O)CC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N(C)C3CCNC3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(N3CCN(C)CC3=O)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cccc2C(C)(C)F)C1=O.
What is the InChIKey of 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?
The InChIKey is OGBXKPMSAUXLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2.C18H21F3N2O.C17H20F3N3O2.C17H22F3N3O.C17H21F3N2O3S.C17H21F3N2O.C15H18F3NO2.C14H18FNO/c1-12(2)24-9-15-14(17(24)25)6-13(7-16(15)19(20,21)22)8-23-5-3-4-18(23)10-26-11-18;1-10(2)23-9-15-14(17(23)24)3-11(4-16(15)18(19,20)21)6-22-7-12-5-13(12)8-22;1-10(2)23-8-13-12(16(23)25)6-11(7-14(13)17(18,19)20)22-5-4-21(3)9-15(22)24;1-10(2)23-9-14-13(16(23)24)6-12(7-15(14)17(18,19)20)22(3)11-4-5-21-8-11;1-11(2)22-10-14-13(16(22)23)7-12(8-15(14)17(18,19)20)9-21-3-5-26(24,25)6-4-21;1-10(2)22-9-14-13(16(22)23)6-12(5-11-3-4-21-8-11)7-15(14)17(18,19)20;1-8(2)19-7-11-10(13(19)20)5-9(14(3,4)21)6-12(11)15(16,17)18;1-9(2)16-8-11-10(13(16)17)6-5-7-12(11)14(3,4)15/h6-7,12H,3-5,8-11H2,1-2H3;3-4,10,12-13H,5-9H2,1-2H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,10-11,21H,4-5,8-9H2,1-3H3;7-8,11H,3-6,9-10H2,1-2H3;6-7,10-11,21H,3-5,8-9H2,1-2H3;5-6,8,21H,7H2,1-4H3;5-7,9H,8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2656.91 g/mol, XLogP of 24.25, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167634270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).