(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide

C228H235F15N18O28S6 — CID 159575040

IUPAC(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
SMILESCC(N)c1cccc(-c2ccc(N3CCC[C@@H](CC(=O)Cc4ccc(C(C)(F)F)cn4)C3=O)c(F)c2F)c1.CCc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ccc(C)cc2F)C1=O.CCc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ncc(C)cc2F)C1=O.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3c(F)cc(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3C)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4cccc(F)c4NS(C)(=O)=O)cc3)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4N)cc3)C2=O)cc1
InChIInChI=1S/C30H33FN2O4S.C29H29F4N3O2.C29H30F2N2O4S.C29H32FN3O4S.2C28H27F3N2O4S.C28H29FN2O4S.C27H28N2O2/c1-4-21-17-22(26-9-5-6-10-28(26)32-38(3,36)37)13-14-29(21)33-15-7-8-24(30(33)35)19-25(34)18-23-12-11-20(2)16-27(23)31;1-17(34)18-5-3-6-19(13-18)24-10-11-25(27(31)26(24)30)36-12-4-7-20(28(36)38)14-23(37)15-22-9-8-21(16-35-22)29(2,32)33;1-18-10-11-20(25(30)13-18)15-22(34)16-21-7-6-12-33(29(21)35)28-17-26(31)24(14-19(28)2)23-8-4-5-9-27(23)32-38(3,36)37;1-4-20-15-21(24-9-5-6-10-26(24)32-38(3,36)37)11-12-28(20)33-13-7-8-22(29(33)35)16-23(34)17-27-25(30)14-19(2)18-31-27;1-17-9-10-18(23(29)12-17)13-21(34)14-19-6-5-11-33(28(19)35)27-24(30)15-20(16-25(27)31)22-7-3-4-8-26(22)32-38(2,36)37;1-17-9-10-18(23(29)12-17)13-20(34)14-19-6-5-11-33(28(19)35)27-16-24(30)22(15-25(27)31)21-7-3-4-8-26(21)32-38(2,36)37;1-19-8-10-20(11-9-19)17-24(32)18-22-5-4-16-31(28(22)33)23-14-12-21(13-15-23)25-6-3-7-26(29)27(25)30-36(2,34)35;1-19-8-10-20(11-9-19)17-24(30)18-22-5-4-16-29(27(22)31)23-14-12-21(13-15-23)25-6-2-3-7-26(25)28/h5-6,9-14,16-17,24,32H,4,7-8,15,18-19H2,1-3H3;3,5-6,8-11,13,16-17,20H,4,7,12,14-15,34H2,1-2H3;4-5,8-11,13-14,17,21,32H,6-7,12,15-16H2,1-3H3;5-6,9-12,14-15,18,22,32H,4,7-8,13,16-17H2,1-3H3;2*3-4,7-10,12,15-16,19,32H,5-6,11,13-14H2,1-2H3;3,6-15,22,30H,4-5,16-18H2,1-2H3;2-3,6-15,22H,4-5,16-18,28H2,1H3/t24-;17?,20-;21-;22-;2*19-;2*22-/m00000000/s1
InChIKeyMIHIDBWBJBEDDI-IPEGDCTGSA-N
MW4152.86 g/mol
LogP43.52
Rot. Bonds64

About (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide

(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide (PubChem CID 159575040) has the molecular formula C228H235F15N18O28S6 and a molecular weight of 4152.86 g/mol. Its IUPAC name is (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
PubChem CID159575040
Molecular FormulaC228H235F15N18O28S6
Molecular Weight4152.86 g/mol
Exact Mass4149.56
IUPAC Name(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
SMILESCC(N)c1cccc(-c2ccc(N3CCC[C@@H](CC(=O)Cc4ccc(C(C)(F)F)cn4)C3=O)c(F)c2F)c1.CCc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ccc(C)cc2F)C1=O.CCc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ncc(C)cc2F)C1=O.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3c(F)cc(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3C)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4cccc(F)c4NS(C)(=O)=O)cc3)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4N)cc3)C2=O)cc1
InChIInChI=1S/C30H33FN2O4S.C29H29F4N3O2.C29H30F2N2O4S.C29H32FN3O4S.2C28H27F3N2O4S.C28H29FN2O4S.C27H28N2O2/c1-4-21-17-22(26-9-5-6-10-28(26)32-38(3,36)37)13-14-29(21)33-15-7-8-24(30(33)35)19-25(34)18-23-12-11-20(2)16-27(23)31;1-17(34)18-5-3-6-19(13-18)24-10-11-25(27(31)26(24)30)36-12-4-7-20(28(36)38)14-23(37)15-22-9-8-21(16-35-22)29(2,32)33;1-18-10-11-20(25(30)13-18)15-22(34)16-21-7-6-12-33(29(21)35)28-17-26(31)24(14-19(28)2)23-8-4-5-9-27(23)32-38(3,36)37;1-4-20-15-21(24-9-5-6-10-26(24)32-38(3,36)37)11-12-28(20)33-13-7-8-22(29(33)35)16-23(34)17-27-25(30)14-19(2)18-31-27;1-17-9-10-18(23(29)12-17)13-21(34)14-19-6-5-11-33(28(19)35)27-24(30)15-20(16-25(27)31)22-7-3-4-8-26(22)32-38(2,36)37;1-17-9-10-18(23(29)12-17)13-20(34)14-19-6-5-11-33(28(19)35)27-16-24(30)22(15-25(27)31)21-7-3-4-8-26(21)32-38(2,36)37;1-19-8-10-20(11-9-19)17-24(32)18-22-5-4-16-31(28(22)33)23-14-12-21(13-15-23)25-6-3-7-26(29)27(25)30-36(2,34)35;1-19-8-10-20(11-9-19)17-24(30)18-22-5-4-16-29(27(22)31)23-14-12-21(13-15-23)25-6-2-3-7-26(25)28/h5-6,9-14,16-17,24,32H,4,7-8,15,18-19H2,1-3H3;3,5-6,8-11,13,16-17,20H,4,7,12,14-15,34H2,1-2H3;4-5,8-11,13-14,17,21,32H,6-7,12,15-16H2,1-3H3;5-6,9-12,14-15,18,22,32H,4,7-8,13,16-17H2,1-3H3;2*3-4,7-10,12,15-16,19,32H,5-6,11,13-14H2,1-2H3;3,6-15,22,30H,4-5,16-18H2,1-2H3;2-3,6-15,22H,4-5,16-18,28H2,1H3/t24-;17?,20-;21-;22-;2*19-;2*22-/m00000000/s1
InChIKeyMIHIDBWBJBEDDI-IPEGDCTGSA-N
XLogP43.52
TPSA653.88 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds64
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004152.86
LogP ≤ 543.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide (CID 159575040) is (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide is CC(N)c1cccc(-c2ccc(N3CCC[C@@H](CC(=O)Cc4ccc(C(C)(F)F)cn4)C3=O)c(F)c2F)c1.CCc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ccc(C)cc2F)C1=O.CCc1cc(-c2ccccc2NS(C)(=O)=O)ccc1N1CCC[C@@H](CC(=O)Cc2ncc(C)cc2F)C1=O.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3c(F)cc(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3C)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3cc(F)c(-c4ccccc4NS(C)(=O)=O)cc3F)C2=O)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4cccc(F)c4NS(C)(=O)=O)cc3)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCCN(c3ccc(-c4ccccc4N)cc3)C2=O)cc1.
What is the InChIKey of (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide?
The InChIKey is MIHIDBWBJBEDDI-IPEGDCTGSA-N. The full InChI is InChI=1S/C30H33FN2O4S.C29H29F4N3O2.C29H30F2N2O4S.C29H32FN3O4S.2C28H27F3N2O4S.C28H29FN2O4S.C27H28N2O2/c1-4-21-17-22(26-9-5-6-10-28(26)32-38(3,36)37)13-14-29(21)33-15-7-8-24(30(33)35)19-25(34)18-23-12-11-20(2)16-27(23)31;1-17(34)18-5-3-6-19(13-18)24-10-11-25(27(31)26(24)30)36-12-4-7-20(28(36)38)14-23(37)15-22-9-8-21(16-35-22)29(2,32)33;1-18-10-11-20(25(30)13-18)15-22(34)16-21-7-6-12-33(29(21)35)28-17-26(31)24(14-19(28)2)23-8-4-5-9-27(23)32-38(3,36)37;1-4-20-15-21(24-9-5-6-10-26(24)32-38(3,36)37)11-12-28(20)33-13-7-8-22(29(33)35)16-23(34)17-27-25(30)14-19(2)18-31-27;1-17-9-10-18(23(29)12-17)13-21(34)14-19-6-5-11-33(28(19)35)27-24(30)15-20(16-25(27)31)22-7-3-4-8-26(22)32-38(2,36)37;1-17-9-10-18(23(29)12-17)13-20(34)14-19-6-5-11-33(28(19)35)27-16-24(30)22(15-25(27)31)21-7-3-4-8-26(21)32-38(2,36)37;1-19-8-10-20(11-9-19)17-24(32)18-22-5-4-16-31(28(22)33)23-14-12-21(13-15-23)25-6-3-7-26(29)27(25)30-36(2,34)35;1-19-8-10-20(11-9-19)17-24(30)18-22-5-4-16-29(27(22)31)23-14-12-21(13-15-23)25-6-2-3-7-26(25)28/h5-6,9-14,16-17,24,32H,4,7-8,15,18-19H2,1-3H3;3,5-6,8-11,13,16-17,20H,4,7,12,14-15,34H2,1-2H3;4-5,8-11,13-14,17,21,32H,6-7,12,15-16H2,1-3H3;5-6,9-12,14-15,18,22,32H,4,7-8,13,16-17H2,1-3H3;2*3-4,7-10,12,15-16,19,32H,5-6,11,13-14H2,1-2H3;3,6-15,22,30H,4-5,16-18H2,1-2H3;2-3,6-15,22H,4-5,16-18,28H2,1H3/t24-;17?,20-;21-;22-;2*19-;2*22-/m00000000/s1.
What are the key properties of (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide?
(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide has a molecular weight of 4152.86 g/mol, XLogP of 43.52, 64 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-oxopropyl]piperidin-2-one;(3S)-1-[4-(2-aminophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]piperidin-2-one;N-[2-[2,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3,5-difluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2-fluoro-4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]-5-methylphenyl]phenyl]methanesulfonamide;N-[2-fluoro-6-[4-[(3S)-3-[3-(4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 159575040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).