5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

C182H174Br2F15N17O17 — CID 161287564

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2ccncc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(N2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(N2CCN3CCCC3C2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1ccc(CN2Cc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)ccc3C2=O)cc1
InChIInChI=1S/C27H29N3O2.C26H30N2O3.C24H26F3N3O2.C22H18BrNO2.C22H24F3N3O2.2C22H17F3N2O2.C17H13BrF3NO2/c1-20-16-23(29-14-12-28(2)13-15-29)17-22-19-30(27(31)26(20)22)18-21-8-10-25(11-9-21)32-24-6-4-3-5-7-24;1-18-5-7-19(8-6-18)16-28-17-22-15-21(9-10-23(22)24(28)29)20-11-13-27(14-12-20)25(30)31-26(2,3)4;1-16-11-20(29-10-9-28-8-2-3-19(28)15-29)12-18-14-30(23(31)22(16)18)13-17-4-6-21(7-5-17)32-24(25,26)27;1-15-11-18(23)12-17-14-24(22(25)21(15)17)13-16-7-9-20(10-8-16)26-19-5-3-2-4-6-19;1-15-11-18(27-9-7-26(2)8-10-27)12-17-14-28(21(29)20(15)17)13-16-3-5-19(6-4-16)30-22(23,24)25;1-14-10-17(16-6-8-26-9-7-16)11-18-13-27(21(28)20(14)18)12-15-2-4-19(5-3-15)29-22(23,24)25;1-14-9-17(16-3-2-8-26-11-16)10-18-13-27(21(28)20(14)18)12-15-4-6-19(7-5-15)29-22(23,24)25;1-10-6-13(18)7-12-9-22(16(23)15(10)12)8-11-2-4-14(5-3-11)24-17(19,20)21/h3-11,16-17H,12-15,18-19H2,1-2H3;5-11,15H,12-14,16-17H2,1-4H3;4-7,11-12,19H,2-3,8-10,13-15H2,1H3;2-12H,13-14H2,1H3;3-6,11-12H,7-10,13-14H2,1-2H3;2*2-11H,12-13H2,1H3;2-7H,8-9H2,1H3
InChIKeyVFXNOHCUIIQXJJ-UHFFFAOYSA-N
MW3316.27 g/mol
LogP38.75
Rot. Bonds31

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 161287564) has the molecular formula C182H174Br2F15N17O17 and a molecular weight of 3316.27 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
PubChem CID161287564
Molecular FormulaC182H174Br2F15N17O17
Molecular Weight3316.27 g/mol
Exact Mass3312.14
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2ccncc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(N2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(N2CCN3CCCC3C2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1ccc(CN2Cc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)ccc3C2=O)cc1
InChIInChI=1S/C27H29N3O2.C26H30N2O3.C24H26F3N3O2.C22H18BrNO2.C22H24F3N3O2.2C22H17F3N2O2.C17H13BrF3NO2/c1-20-16-23(29-14-12-28(2)13-15-29)17-22-19-30(27(31)26(20)22)18-21-8-10-25(11-9-21)32-24-6-4-3-5-7-24;1-18-5-7-19(8-6-18)16-28-17-22-15-21(9-10-23(22)24(28)29)20-11-13-27(14-12-20)25(30)31-26(2,3)4;1-16-11-20(29-10-9-28-8-2-3-19(28)15-29)12-18-14-30(23(31)22(16)18)13-17-4-6-21(7-5-17)32-24(25,26)27;1-15-11-18(23)12-17-14-24(22(25)21(15)17)13-16-7-9-20(10-8-16)26-19-5-3-2-4-6-19;1-15-11-18(27-9-7-26(2)8-10-27)12-17-14-28(21(29)20(15)17)13-16-3-5-19(6-4-16)30-22(23,24)25;1-14-10-17(16-6-8-26-9-7-16)11-18-13-27(21(28)20(14)18)12-15-2-4-19(5-3-15)29-22(23,24)25;1-14-9-17(16-3-2-8-26-11-16)10-18-13-27(21(28)20(14)18)12-15-4-6-19(7-5-15)29-22(23,24)25;1-10-6-13(18)7-12-9-22(16(23)15(10)12)8-11-2-4-14(5-3-11)24-17(19,20)21/h3-11,16-17H,12-15,18-19H2,1-2H3;5-11,15H,12-14,16-17H2,1-4H3;4-7,11-12,19H,2-3,8-10,13-15H2,1H3;2-12H,13-14H2,1H3;3-6,11-12H,7-10,13-14H2,1-2H3;2*2-11H,12-13H2,1H3;2-7H,8-9H2,1H3
InChIKeyVFXNOHCUIIQXJJ-UHFFFAOYSA-N
XLogP38.75
TPSA301.85 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003316.27
LogP ≤ 538.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (CID 161287564) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2ccncc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(N2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(N2CCN3CCCC3C2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1ccc(CN2Cc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)ccc3C2=O)cc1.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is VFXNOHCUIIQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2.C26H30N2O3.C24H26F3N3O2.C22H18BrNO2.C22H24F3N3O2.2C22H17F3N2O2.C17H13BrF3NO2/c1-20-16-23(29-14-12-28(2)13-15-29)17-22-19-30(27(31)26(20)22)18-21-8-10-25(11-9-21)32-24-6-4-3-5-7-24;1-18-5-7-19(8-6-18)16-28-17-22-15-21(9-10-23(22)24(28)29)20-11-13-27(14-12-20)25(30)31-26(2,3)4;1-16-11-20(29-10-9-28-8-2-3-19(28)15-29)12-18-14-30(23(31)22(16)18)13-17-4-6-21(7-5-17)32-24(25,26)27;1-15-11-18(23)12-17-14-24(22(25)21(15)17)13-16-7-9-20(10-8-16)26-19-5-3-2-4-6-19;1-15-11-18(27-9-7-26(2)8-10-27)12-17-14-28(21(29)20(15)17)13-16-3-5-19(6-4-16)30-22(23,24)25;1-14-10-17(16-6-8-26-9-7-16)11-18-13-27(21(28)20(14)18)12-15-2-4-19(5-3-15)29-22(23,24)25;1-14-9-17(16-3-2-8-26-11-16)10-18-13-27(21(28)20(14)18)12-15-4-6-19(7-5-15)29-22(23,24)25;1-10-6-13(18)7-12-9-22(16(23)15(10)12)8-11-2-4-14(5-3-11)24-17(19,20)21/h3-11,16-17H,12-15,18-19H2,1-2H3;5-11,15H,12-14,16-17H2,1-4H3;4-7,11-12,19H,2-3,8-10,13-15H2,1H3;2-12H,13-14H2,1H3;3-6,11-12H,7-10,13-14H2,1-2H3;2*2-11H,12-13H2,1H3;2-7H,8-9H2,1H3.
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 3316.27 g/mol, XLogP of 38.75, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;tert-butyl 4-[2-[(4-methylphenyl)methyl]-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-(4-methylpiperazin-1-yl)-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-(4-methylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 161287564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).