5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid

C197H253N23O31 — CID 159565814

IUPAC5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid
SMILESCC(=O)c1cn(Cc2ccccn2)c2c(C(C)C)cc(C)cc12.CC(C)OCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.CC(C)c1cc(COCCN(C)C)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(N(C)C(=O)CN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)CN2CCCC2)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)CN2CCCCC2)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)[C@H](C)N(C)C)cc2c(C(=O)O)cn(C)c12.CCOCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.COCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.COCc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C
InChIInChI=1S/C23H28N2O4.C22H26N2O4.C21H29N3O3.C21H24N2O4.C20H27N3O3.C20H22N2O.C19H27N3O3.C18H25N3O3.C18H26N2O3.C15H19NO3/c1-15(2)19-11-18(29-10-9-28-16(3)4)12-20-21(23(26)27)14-25(22(19)20)13-17-7-5-6-8-24-17;1-4-27-9-10-28-17-11-18(15(2)3)21-19(12-17)20(22(25)26)14-24(21)13-16-7-5-6-8-23-16;1-14(2)16-10-15(11-17-18(21(26)27)12-22(3)20(16)17)23(4)19(25)13-24-8-6-5-7-9-24;1-14(2)17-10-16(27-9-8-26-3)11-18-19(21(24)25)13-23(20(17)18)12-15-6-4-5-7-22-15;1-13(2)15-9-14(22(4)18(24)12-23-7-5-6-8-23)10-16-17(20(25)26)11-21(3)19(15)16;1-13(2)17-9-14(3)10-18-19(15(4)23)12-22(20(17)18)11-16-7-5-6-8-21-16;1-11(2)14-8-13(22(7)18(23)12(3)20(4)5)9-15-16(19(24)25)10-21(6)17(14)15;1-11(2)13-7-12(21(6)16(22)10-19(3)4)8-14-15(18(23)24)9-20(5)17(13)14;1-12(2)15-9-13(11-23-7-6-19(3)4)8-14-10-16(18(21)22)20(5)17(14)15;1-9(2)12-6-10(8-19-4)5-11-7-13(15(17)18)16(3)14(11)12/h5-8,11-12,14-16H,9-10,13H2,1-4H3,(H,26,27);5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,25,26);10-12,14H,5-9,13H2,1-4H3,(H,26,27);4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,24,25);9-11,13H,5-8,12H2,1-4H3,(H,25,26);5-10,12-13H,11H2,1-4H3;8-12H,1-7H3,(H,24,25);7-9,11H,10H2,1-6H3,(H,23,24);8-10,12H,6-7,11H2,1-5H3,(H,21,22);5-7,9H,8H2,1-4H3,(H,17,18)/t;;;;;;12-;;;/m......0.../s1
InChIKeyMHEJHEXMBCSOOT-QAIFALFTSA-N
MW3439.32 g/mol
LogP35.85
Rot. Bonds61

About 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid

5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid (PubChem CID 159565814) has the molecular formula C197H253N23O31 and a molecular weight of 3439.32 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid
PubChem CID159565814
Molecular FormulaC197H253N23O31
Molecular Weight3439.32 g/mol
Exact Mass3436.89
IUPAC Name5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid
SMILESCC(=O)c1cn(Cc2ccccn2)c2c(C(C)C)cc(C)cc12.CC(C)OCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.CC(C)c1cc(COCCN(C)C)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(N(C)C(=O)CN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)CN2CCCC2)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)CN2CCCCC2)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)[C@H](C)N(C)C)cc2c(C(=O)O)cn(C)c12.CCOCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.COCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.COCc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C
InChIInChI=1S/C23H28N2O4.C22H26N2O4.C21H29N3O3.C21H24N2O4.C20H27N3O3.C20H22N2O.C19H27N3O3.C18H25N3O3.C18H26N2O3.C15H19NO3/c1-15(2)19-11-18(29-10-9-28-16(3)4)12-20-21(23(26)27)14-25(22(19)20)13-17-7-5-6-8-24-17;1-4-27-9-10-28-17-11-18(15(2)3)21-19(12-17)20(22(25)26)14-24(21)13-16-7-5-6-8-23-16;1-14(2)16-10-15(11-17-18(21(26)27)12-22(3)20(16)17)23(4)19(25)13-24-8-6-5-7-9-24;1-14(2)17-10-16(27-9-8-26-3)11-18-19(21(24)25)13-23(20(17)18)12-15-6-4-5-7-22-15;1-13(2)15-9-14(22(4)18(24)12-23-7-5-6-8-23)10-16-17(20(25)26)11-21(3)19(15)16;1-13(2)17-9-14(3)10-18-19(15(4)23)12-22(20(17)18)11-16-7-5-6-8-21-16;1-11(2)14-8-13(22(7)18(23)12(3)20(4)5)9-15-16(19(24)25)10-21(6)17(14)15;1-11(2)13-7-12(21(6)16(22)10-19(3)4)8-14-15(18(23)24)9-20(5)17(13)14;1-12(2)15-9-13(11-23-7-6-19(3)4)8-14-10-16(18(21)22)20(5)17(14)15;1-9(2)12-6-10(8-19-4)5-11-7-13(15(17)18)16(3)14(11)12/h5-8,11-12,14-16H,9-10,13H2,1-4H3,(H,26,27);5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,25,26);10-12,14H,5-9,13H2,1-4H3,(H,26,27);4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,24,25);9-11,13H,5-8,12H2,1-4H3,(H,25,26);5-10,12-13H,11H2,1-4H3;8-12H,1-7H3,(H,24,25);7-9,11H,10H2,1-6H3,(H,23,24);8-10,12H,6-7,11H2,1-5H3,(H,21,22);5-7,9H,8H2,1-4H3,(H,17,18)/t;;;;;;12-;;;/m......0.../s1
InChIKeyMHEJHEXMBCSOOT-QAIFALFTSA-N
XLogP35.85
TPSA624.91 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds61
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003439.32
LogP ≤ 535.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Disodium;2-amino-5-[1-[2-[2-[[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]amino]ethoxy]ethylamino]-2-methylindolizine-3-carbonyl]benzoic acid;2-amino-5-[1-[[3-[2-[[3-[2-[3-[[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]benzoic acid;5-[1-[[3-[2-[[3-[2-[3-[[3-[3-carboxy-4-(trifluoromethoxymethylideneamino)benzoyl]-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid;methane;methyl 2-amino-5-[1-[2-[2-[[3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizin-1-yl]amino]ethoxy]ethylamino]-2-methylindolizine-3-carbonyl]benzoate;dihydroxide
CID 159163945
Disodium bis(2-amino-5-[6-[2-[2-[2-[2-[2-[2-[2-[3-(4-amino-3-carboxybenzoyl)-1-methoxy-2-methylindolizin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate)
CID 141614886
8-[3-[9-(2,6-Diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
CID 157124693
5-(2-Methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid
CID 157292010
Bis([4-[2-(indol-1-ylmethoxy)-2-oxoethyl]phenyl]-trimethylazanium);tris(methyl 1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]indole-2-carboxylate);tris(methyl 1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]-5-phenylmethoxyindole-2-carboxylate)
CID 157294479
8-[3-[(9-Dibenzofuran-2-ylcarbazol-3-yl)methyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;5-dibenzofuran-2-yl-8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazol-9-yl]pyrido[3,2-b]indole;8-[8-[3-[9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]phenyl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[8-[9-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[1-[9-(5-propan-2-ylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]cyclohexyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 157299137
2-[3-(2,6-Dimethyl-4-pyridinyl)-2,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole;9-[2-(2,6-dimethyl-3-pyridinyl)-3,4,5-tris(3-phenylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-3-phenylcarbazole;9-[2-(3,5-diphenylpyridin-1-ium-1-yl)-3,5,6-tris(3-methylcarbazol-9-yl)-4-pyridin-4-ylphenyl]-3-methylcarbazole
CID 157385883
5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole;methane;methyl 1-[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate;bis(methyl 5-phenylmethoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate);5-phenoxy-2-(pyridin-1-ium-1-ylmethyl)-1H-indole;trimethyl-[4-[2-oxo-2-[(5-phenylmethoxyindol-1-yl)methoxy]ethyl]phenyl]azanium
CID 157453834
Methane;tris(methyl 1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]indole-2-carboxylate);tris(methyl 1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]-5-phenylmethoxyindole-2-carboxylate)
CID 157498894
methane;methyl 1-[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate;tris(methyl 5-phenylmethoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate)
CID 157521534
5-butyl-2-(pyridin-1-ium-1-ylmethyl)-1H-indole;methyl 1-[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]indol-1-yl]methyl]pyridin-1-ium-3-carboxylate;tris(methyl 5-phenylmethoxy-1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate)
CID 157544146
[4-[(5-acetyl-1H-indol-2-yl)methoxycarbonyl]phenyl]-trimethylazanium;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate
CID 157593251

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid (CID 159565814) is 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid is CC(=O)c1cn(Cc2ccccn2)c2c(C(C)C)cc(C)cc12.CC(C)OCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.CC(C)c1cc(COCCN(C)C)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(N(C)C(=O)CN(C)C)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)CN2CCCC2)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)CN2CCCCC2)cc2c(C(=O)O)cn(C)c12.CC(C)c1cc(N(C)C(=O)[C@H](C)N(C)C)cc2c(C(=O)O)cn(C)c12.CCOCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.COCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1.COCc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.
What is the InChIKey of 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid?
The InChIKey is MHEJHEXMBCSOOT-QAIFALFTSA-N. The full InChI is InChI=1S/C23H28N2O4.C22H26N2O4.C21H29N3O3.C21H24N2O4.C20H27N3O3.C20H22N2O.C19H27N3O3.C18H25N3O3.C18H26N2O3.C15H19NO3/c1-15(2)19-11-18(29-10-9-28-16(3)4)12-20-21(23(26)27)14-25(22(19)20)13-17-7-5-6-8-24-17;1-4-27-9-10-28-17-11-18(15(2)3)21-19(12-17)20(22(25)26)14-24(21)13-16-7-5-6-8-23-16;1-14(2)16-10-15(11-17-18(21(26)27)12-22(3)20(16)17)23(4)19(25)13-24-8-6-5-7-9-24;1-14(2)17-10-16(27-9-8-26-3)11-18-19(21(24)25)13-23(20(17)18)12-15-6-4-5-7-22-15;1-13(2)15-9-14(22(4)18(24)12-23-7-5-6-8-23)10-16-17(20(25)26)11-21(3)19(15)16;1-13(2)17-9-14(3)10-18-19(15(4)23)12-22(20(17)18)11-16-7-5-6-8-21-16;1-11(2)14-8-13(22(7)18(23)12(3)20(4)5)9-15-16(19(24)25)10-21(6)17(14)15;1-11(2)13-7-12(21(6)16(22)10-19(3)4)8-14-15(18(23)24)9-20(5)17(13)14;1-12(2)15-9-13(11-23-7-6-19(3)4)8-14-10-16(18(21)22)20(5)17(14)15;1-9(2)12-6-10(8-19-4)5-11-7-13(15(17)18)16(3)14(11)12/h5-8,11-12,14-16H,9-10,13H2,1-4H3,(H,26,27);5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,25,26);10-12,14H,5-9,13H2,1-4H3,(H,26,27);4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,24,25);9-11,13H,5-8,12H2,1-4H3,(H,25,26);5-10,12-13H,11H2,1-4H3;8-12H,1-7H3,(H,24,25);7-9,11H,10H2,1-6H3,(H,23,24);8-10,12H,6-7,11H2,1-5H3,(H,21,22);5-7,9H,8H2,1-4H3,(H,17,18)/t;;;;;;12-;;;/m......0.../s1.
What are the key properties of 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid?
5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid has a molecular weight of 3439.32 g/mol, XLogP of 35.85, 61 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)acetyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-[2-(dimethylamino)ethoxymethyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[[(2S)-2-(dimethylamino)propanoyl]-methylamino]-1-methyl-7-propan-2-ylindole-3-carboxylic acid;5-(2-ethoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;5-(methoxymethyl)-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[methyl-(2-piperidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[methyl-(2-pyrrolidin-1-ylacetyl)amino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]ethanone;7-propan-2-yl-5-(2-propan-2-yloxyethoxy)-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid is sourced from PubChem (CID 159565814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).