4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine

C136H170N20O15 — CID 159712926

IUPAC4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
SMILESCC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1ccccn1.CC(C)c1cc(CCN2CCCCC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(-c4ncccn4)n3)cc12.COCCn1c(C(C)=O)cc2cc(C)cc(C(C)C)c21.COCCn1cnc(-c2ccc3c(c2)c(C(C)C)cn3CCN2CCOCC2)n1.COc1cc(C(C)C)c2c(cc(C(=O)O)n2C)c1OC.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1
InChIInChI=1S/C23H27N7O.C22H31N5O2.C20H28N2O2.C20H22N2O.C19H20N2O3.C17H23NO2.C15H19NO4/c1-17(2)20-15-29(9-8-28-10-12-31-13-11-28)21-5-4-18(14-19(20)21)22-26-16-30(27-22)23-24-6-3-7-25-23;1-17(2)20-15-26(7-6-25-8-12-29-13-9-25)21-5-4-18(14-19(20)21)22-23-16-27(24-22)10-11-28-3;1-14(2)17-12-15(7-10-22-8-5-4-6-9-22)11-16-13-18(20(23)24)21(3)19(16)17;1-13(2)18-10-14(3)9-16-11-19(15(4)23)22(20(16)18)12-17-7-5-6-8-21-17;1-12(2)14-7-8-17(24-3)15-10-16(19(22)23)21(18(14)15)11-13-6-4-5-9-20-13;1-11(2)15-9-12(3)8-14-10-16(13(4)19)18(17(14)15)6-7-20-5;1-8(2)9-7-12(19-4)14(20-5)10-6-11(15(17)18)16(3)13(9)10/h3-7,14-17H,8-13H2,1-2H3;4-5,14-17H,6-13H2,1-3H3;11-14H,4-10H2,1-3H3,(H,23,24);5-11,13H,12H2,1-4H3;4-10,12H,11H2,1-3H3,(H,22,23);8-11H,6-7H2,1-5H3;6-8H,1-5H3,(H,17,18)
InChIKeyMZBLOCNCSJIELF-UHFFFAOYSA-N
MW2324.98 g/mol
LogP25.74
Rot. Bonds37

About 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine

4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine (PubChem CID 159712926) has the molecular formula C136H170N20O15 and a molecular weight of 2324.98 g/mol. Its IUPAC name is 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
PubChem CID159712926
Molecular FormulaC136H170N20O15
Molecular Weight2324.98 g/mol
Exact Mass2323.32
IUPAC Name4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
SMILESCC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1ccccn1.CC(C)c1cc(CCN2CCCCC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(-c4ncccn4)n3)cc12.COCCn1c(C(C)=O)cc2cc(C)cc(C(C)C)c21.COCCn1cnc(-c2ccc3c(c2)c(C(C)C)cn3CCN2CCOCC2)n1.COc1cc(C(C)C)c2c(cc(C(=O)O)n2C)c1OC.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1
InChIInChI=1S/C23H27N7O.C22H31N5O2.C20H28N2O2.C20H22N2O.C19H20N2O3.C17H23NO2.C15H19NO4/c1-17(2)20-15-29(9-8-28-10-12-31-13-11-28)21-5-4-18(14-19(20)21)22-26-16-30(27-22)23-24-6-3-7-25-23;1-17(2)20-15-26(7-6-25-8-12-29-13-9-25)21-5-4-18(14-19(20)21)22-23-16-27(24-22)10-11-28-3;1-14(2)17-12-15(7-10-22-8-5-4-6-9-22)11-16-13-18(20(23)24)21(3)19(16)17;1-13(2)18-10-14(3)9-16-11-19(15(4)23)22(20(16)18)12-17-7-5-6-8-21-17;1-12(2)14-7-8-17(24-3)15-10-16(19(22)23)21(18(14)15)11-13-6-4-5-9-20-13;1-11(2)15-9-12(3)8-14-10-16(13(4)19)18(17(14)15)6-7-20-5;1-8(2)9-7-12(19-4)14(20-5)10-6-11(15(17)18)16(3)13(9)10/h3-7,14-17H,8-13H2,1-2H3;4-5,14-17H,6-13H2,1-3H3;11-14H,4-10H2,1-3H3,(H,23,24);5-11,13H,12H2,1-4H3;4-10,12H,11H2,1-3H3,(H,22,23);8-11H,6-7H2,1-5H3;6-8H,1-5H3,(H,17,18)
InChIKeyMZBLOCNCSJIELF-UHFFFAOYSA-N
XLogP25.74
TPSA367.86 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002324.98
LogP ≤ 525.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine with MolForge

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Related Compounds

1-benzyl-3-propan-2-ylindole-5-carboxylic acid;1-[(3-cyanophenyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-cyano-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;N,N-dimethyl-2-[5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindol-1-yl]acetamide;1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethoxy)-7-propan-2-ylindole-2-carboxylic acid
CID 157175953
2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 157318451
1-[(6-Ethenyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methyl-1-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methylpiperidin-4-yl)oxy-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-4-ylmethyl)indole-2-carboxylic acid
CID 157746586
Methyl 3,6-dimethyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(3-phenoxypropyl)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 157798728
Methyl 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(2-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(3-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-phenylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 157811862
5-(2-Methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-2-ylindole;1-[1-[(2-methyltriazol-4-yl)methyl]-7-propan-2-ylindol-2-yl]ethanone;3-propan-2-yl-5-pyrimidin-2-yl-1-(2-pyrrolidin-1-ylethyl)indole
CID 157927771
5-[2-(dimethylamino)ethoxy]-1-(2-methoxyethyl)-7-propan-2-ylindole-3-carboxylic acid;1-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methyl]-3-propan-2-ylindole-5-carboxylic acid;5-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindole-3-carboxylic acid;5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3-propan-2-ylindole;1-methyl-5-[1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;3-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;1-methyl-3-propan-2-yl-5-(triazol-1-yl)indole;1-(4-propan-2-ylquinolin-2-yl)ethanone
CID 157979797
1-(2-Methoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(4-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;3-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid;7-propan-2-yl-1-(pyridin-4-ylmethyl)indole-3-carboxylic acid
CID 158068277
1-[2-(Dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 158385093
6,7-Dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
CID 158488381
5-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)-3-propan-2-ylindole;bis(5-[2-(dimethylamino)ethoxy]-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid);5-[2-(dimethylamino)ethoxy]-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;4-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-5-phenylmethoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(piperidine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-[3-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-1,2,4-triazole;1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone;4-[2-[5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindol-1-yl]ethyl]morpholine
CID 158500897
6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde
CID 158508405

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
The IUPAC name of 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine (CID 159712926) is 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine is CC(=O)c1cc2cc(C)cc(C(C)C)c2n1Cc1ccccn1.CC(C)c1cc(CCN2CCCCC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(-c4ncccn4)n3)cc12.COCCn1c(C(C)=O)cc2cc(C)cc(C(C)C)c21.COCCn1cnc(-c2ccc3c(c2)c(C(C)C)cn3CCN2CCOCC2)n1.COc1cc(C(C)C)c2c(cc(C(=O)O)n2C)c1OC.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1.
What is the InChIKey of 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
The InChIKey is MZBLOCNCSJIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.C22H31N5O2.C20H28N2O2.C20H22N2O.C19H20N2O3.C17H23NO2.C15H19NO4/c1-17(2)20-15-29(9-8-28-10-12-31-13-11-28)21-5-4-18(14-19(20)21)22-26-16-30(27-22)23-24-6-3-7-25-23;1-17(2)20-15-26(7-6-25-8-12-29-13-9-25)21-5-4-18(14-19(20)21)22-23-16-27(24-22)10-11-28-3;1-14(2)17-12-15(7-10-22-8-5-4-6-9-22)11-16-13-18(20(23)24)21(3)19(16)17;1-13(2)18-10-14(3)9-16-11-19(15(4)23)22(20(16)18)12-17-7-5-6-8-21-17;1-12(2)14-7-8-17(24-3)15-10-16(19(22)23)21(18(14)15)11-13-6-4-5-9-20-13;1-11(2)15-9-12(3)8-14-10-16(13(4)19)18(17(14)15)6-7-20-5;1-8(2)9-7-12(19-4)14(20-5)10-6-11(15(17)18)16(3)13(9)10/h3-7,14-17H,8-13H2,1-2H3;4-5,14-17H,6-13H2,1-3H3;11-14H,4-10H2,1-3H3,(H,23,24);5-11,13H,12H2,1-4H3;4-10,12H,11H2,1-3H3,(H,22,23);8-11H,6-7H2,1-5H3;6-8H,1-5H3,(H,17,18).
What are the key properties of 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine has a molecular weight of 2324.98 g/mol, XLogP of 25.74, 37 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 159712926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).