1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid

C231H260Cl3N19O20 — CID 157144944

IUPAC1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid
SMILESCc1c(C)n(C(C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cc(O[C@@H](C)C(N)=O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(C(C)(C)C#N)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(C(C)(C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/2C33H38ClN3O3.C33H37ClN2O4.C33H39N3O3.C33H37N3O2.C33H35N3O.C33H36N2O4/c1-19-21(3)37(18-23-8-14-28(34)30(16-23)40-22(4)31(35)38)29-15-11-25(17-27(19)29)32(39)36-20(2)24-9-12-26(13-10-24)33(5,6)7;1-19-21(3)37(18-25-16-27(13-14-29(25)34)40-22(4)31(35)38)30-15-10-24(17-28(19)30)32(39)36-20(2)23-8-11-26(12-9-23)33(5,6)7;1-19-21(3)36(18-25-9-8-10-29(30(25)34)40-22(4)32(38)39)28-16-13-24(17-27(19)28)31(37)35-20(2)23-11-14-26(15-12-23)33(5,6)7;1-20-22(3)36(19-24-9-8-10-28(17-24)39-23(4)31(34)37)30-16-13-26(18-29(20)30)32(38)35-21(2)25-11-14-27(15-12-25)33(5,6)7;1-20-22(3)36(19-23-8-6-11-28(16-23)33(4,5)32(34)38)30-15-14-27(18-29(20)30)31(37)35-21(2)25-9-7-10-26(17-25)24-12-13-24;1-21-23(3)36(19-24-8-6-11-29(16-24)33(4,5)20-34)31-15-14-28(18-30(21)31)32(37)35-22(2)26-9-7-10-27(17-26)25-12-13-25;1-19-21(3)35(22(4)26-9-7-11-29(17-26)39-23(5)33(37)38)31-15-14-28(18-30(19)31)32(36)34-20(2)25-8-6-10-27(16-25)24-12-13-24/h2*8-17,20,22H,18H2,1-7H3,(H2,35,38)(H,36,39);8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39);8-18,21,23H,19H2,1-7H3,(H2,34,37)(H,35,38);6-11,14-18,21,24H,12-13,19H2,1-5H3,(H2,34,38)(H,35,37);6-11,14-18,22,25H,12-13,19H2,1-5H3,(H,35,37);6-11,14-18,20,22-24H,12-13H2,1-5H3,(H,34,36)(H,37,38)/t3*20-,22-;21-,23-;21-;22-;20-,22?,23-/m0000000/s1
InChIKeyAKPFSUVAQLQDOS-PQKVRAQCSA-N
MW3729.09 g/mol
LogP48.95
Rot. Bonds56

About 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid

1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid (PubChem CID 157144944) has the molecular formula C231H260Cl3N19O20 and a molecular weight of 3729.09 g/mol. Its IUPAC name is 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid
PubChem CID157144944
Molecular FormulaC231H260Cl3N19O20
Molecular Weight3729.09 g/mol
Exact Mass3724.90
IUPAC Name1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid
SMILESCc1c(C)n(C(C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cc(O[C@@H](C)C(N)=O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(C(C)(C)C#N)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(C(C)(C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/2C33H38ClN3O3.C33H37ClN2O4.C33H39N3O3.C33H37N3O2.C33H35N3O.C33H36N2O4/c1-19-21(3)37(18-23-8-14-28(34)30(16-23)40-22(4)31(35)38)29-15-11-25(17-27(19)29)32(39)36-20(2)24-9-12-26(13-10-24)33(5,6)7;1-19-21(3)37(18-25-16-27(13-14-29(25)34)40-22(4)31(35)38)30-15-10-24(17-28(19)30)32(39)36-20(2)23-8-11-26(12-9-23)33(5,6)7;1-19-21(3)36(18-25-9-8-10-29(30(25)34)40-22(4)32(38)39)28-16-13-24(17-27(19)28)31(37)35-20(2)23-11-14-26(15-12-23)33(5,6)7;1-20-22(3)36(19-24-9-8-10-28(17-24)39-23(4)31(34)37)30-16-13-26(18-29(20)30)32(38)35-21(2)25-11-14-27(15-12-25)33(5,6)7;1-20-22(3)36(19-23-8-6-11-28(16-23)33(4,5)32(34)38)30-15-14-27(18-29(20)30)31(37)35-21(2)25-9-7-10-26(17-25)24-12-13-24;1-21-23(3)36(19-24-8-6-11-29(16-24)33(4,5)20-34)31-15-14-28(18-30(21)31)32(37)35-22(2)26-9-7-10-27(17-26)25-12-13-25;1-19-21(3)35(22(4)26-9-7-11-29(17-26)39-23(5)33(37)38)31-15-14-28(18-30(19)31)32(36)34-20(2)25-8-6-10-27(16-25)24-12-13-24/h2*8-17,20,22H,18H2,1-7H3,(H2,35,38)(H,36,39);8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39);8-18,21,23H,19H2,1-7H3,(H2,34,37)(H,35,38);6-11,14-18,21,24H,12-13,19H2,1-5H3,(H2,34,38)(H,35,37);6-11,14-18,22,25H,12-13,19H2,1-5H3,(H,35,37);6-11,14-18,20,22-24H,12-13H2,1-5H3,(H,34,36)(H,37,38)/t3*20-,22-;21-,23-;21-;22-;20-,22?,23-/m0000000/s1
InChIKeyAKPFSUVAQLQDOS-PQKVRAQCSA-N
XLogP48.95
TPSA555.11 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds56
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003729.09
LogP ≤ 548.95
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Analyze 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid with MolForge

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Related Compounds

(S)-2-(5-((5-(((S)-1-(4-(tert-butyl)phenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-2-chlorophenoxy)propanoic acid
CID 71075102
(2S)-2-[2-chloro-5-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenoxy]propanoic acid
CID 71075634
(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid
CID 71075743
(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid
CID 164889293
(2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid
CID 78001977
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 159147183
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 160908894
pentakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 162077369
octakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-2,2-dimethyl-1-(3-propan-2-ylphenyl)propyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-2,2-dimethyl-1-(3-propan-2-ylphenyl)propyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 162106547
2-[5-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid
CID 71075104
2-[2-chloro-5-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenoxy]propanoic acid
CID 71075635
2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid
CID 71075746

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid?
The IUPAC name of 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid (CID 157144944) is 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid.
What is the SMILES notation for 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid?
The canonical SMILES for 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid is Cc1c(C)n(C(C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cc(O[C@@H](C)C(N)=O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(C(C)(C)C#N)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(C(C)(C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12.
What is the InChIKey of 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid?
The InChIKey is AKPFSUVAQLQDOS-PQKVRAQCSA-N. The full InChI is InChI=1S/2C33H38ClN3O3.C33H37ClN2O4.C33H39N3O3.C33H37N3O2.C33H35N3O.C33H36N2O4/c1-19-21(3)37(18-23-8-14-28(34)30(16-23)40-22(4)31(35)38)29-15-11-25(17-27(19)29)32(39)36-20(2)24-9-12-26(13-10-24)33(5,6)7;1-19-21(3)37(18-25-16-27(13-14-29(25)34)40-22(4)31(35)38)30-15-10-24(17-28(19)30)32(39)36-20(2)23-8-11-26(12-9-23)33(5,6)7;1-19-21(3)36(18-25-9-8-10-29(30(25)34)40-22(4)32(38)39)28-16-13-24(17-27(19)28)31(37)35-20(2)23-11-14-26(15-12-23)33(5,6)7;1-20-22(3)36(19-24-9-8-10-28(17-24)39-23(4)31(34)37)30-16-13-26(18-29(20)30)32(38)35-21(2)25-11-14-27(15-12-25)33(5,6)7;1-20-22(3)36(19-23-8-6-11-28(16-23)33(4,5)32(34)38)30-15-14-27(18-29(20)30)31(37)35-21(2)25-9-7-10-26(17-25)24-12-13-24;1-21-23(3)36(19-24-8-6-11-29(16-24)33(4,5)20-34)31-15-14-28(18-30(21)31)32(37)35-22(2)26-9-7-10-27(17-26)25-12-13-25;1-19-21(3)35(22(4)26-9-7-11-29(17-26)39-23(5)33(37)38)31-15-14-28(18-30(19)31)32(36)34-20(2)25-8-6-10-27(16-25)24-12-13-24/h2*8-17,20,22H,18H2,1-7H3,(H2,35,38)(H,36,39);8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39);8-18,21,23H,19H2,1-7H3,(H2,34,37)(H,35,38);6-11,14-18,21,24H,12-13,19H2,1-5H3,(H2,34,38)(H,35,37);6-11,14-18,22,25H,12-13,19H2,1-5H3,(H,35,37);6-11,14-18,20,22-24H,12-13H2,1-5H3,(H,34,36)(H,37,38)/t3*20-,22-;21-,23-;21-;22-;20-,22?,23-/m0000000/s1.
What are the key properties of 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid?
1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid has a molecular weight of 3729.09 g/mol, XLogP of 48.95, 56 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxy-4-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-chlorophenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]-2-chlorophenoxy]propanoic acid;1-[[3-(2-cyanopropan-2-yl)phenyl]methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2S)-2-[3-[1-[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]ethyl]phenoxy]propanoic acid is sourced from PubChem (CID 157144944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).