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

C138H157N19O18 — CID 158068277

IUPAC1-(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
SMILESCC(C)c1cccc2c(C(=O)O)cn(Cc3ccncc3)c12.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ccc(-c3ncn(CC4COC4)n3)cc12.CC(C)c1cnc2ccc(C(=O)O)cn12.COCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1cc(C)ccn1.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccc(C)n1.COc1ccnc(Cn2c(C(=O)O)cc3c(OC)ccc(C(C)C)c32)c1
InChIInChI=1S/C20H22N2O4.2C20H22N2O3.C18H22N4O.C18H18N2O2.C16H21NO3.C15H18N4.C11H12N2O2/c1-12(2)15-5-6-18(26-4)16-10-17(20(23)24)22(19(15)16)11-13-9-14(25-3)7-8-21-13;1-12(2)17-10-16(25-4)8-14-9-18(20(23)24)22(19(14)17)11-15-7-13(3)5-6-21-15;1-12(2)15-8-9-18(25-4)16-10-17(20(23)24)22(19(15)16)11-14-7-5-6-13(3)21-14;1-12(2)16-8-21(3)17-5-4-14(6-15(16)17)18-19-11-22(20-18)7-13-9-23-10-13;1-12(2)14-4-3-5-15-16(18(21)22)11-20(17(14)15)10-13-6-8-19-9-7-13;1-10(2)13-8-11(3)7-12-9-14(16(18)19)17(15(12)13)5-6-20-4;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-7(2)9-5-12-10-4-3-8(11(14)15)6-13(9)10/h5-10,12H,11H2,1-4H3,(H,23,24);2*5-10,12H,11H2,1-4H3,(H,23,24);4-6,8,11-13H,7,9-10H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,21,22);7-10H,5-6H2,1-4H3,(H,18,19);5-10H,1-4H3;3-7H,1-2H3,(H,14,15)
InChIKeyFLMSWSYTCVKGDQ-UHFFFAOYSA-N
MW2369.89 g/mol
LogP28.15
Rot. Bonds33

About 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

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 (PubChem CID 158068277) has the molecular formula C138H157N19O18 and a molecular weight of 2369.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158068277
Molecular FormulaC138H157N19O18
Molecular Weight2369.89 g/mol
Exact Mass2368.20
IUPAC Name1-(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
SMILESCC(C)c1cccc2c(C(=O)O)cn(Cc3ccncc3)c12.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ccc(-c3ncn(CC4COC4)n3)cc12.CC(C)c1cnc2ccc(C(=O)O)cn12.COCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1cc(C)ccn1.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccc(C)n1.COc1ccnc(Cn2c(C(=O)O)cc3c(OC)ccc(C(C)C)c32)c1
InChIInChI=1S/C20H22N2O4.2C20H22N2O3.C18H22N4O.C18H18N2O2.C16H21NO3.C15H18N4.C11H12N2O2/c1-12(2)15-5-6-18(26-4)16-10-17(20(23)24)22(19(15)16)11-13-9-14(25-3)7-8-21-13;1-12(2)17-10-16(25-4)8-14-9-18(20(23)24)22(19(14)17)11-15-7-13(3)5-6-21-15;1-12(2)15-8-9-18(25-4)16-10-17(20(23)24)22(19(15)16)11-14-7-5-6-13(3)21-14;1-12(2)16-8-21(3)17-5-4-14(6-15(16)17)18-19-11-22(20-18)7-13-9-23-10-13;1-12(2)14-4-3-5-15-16(18(21)22)11-20(17(14)15)10-13-6-8-19-9-7-13;1-10(2)13-8-11(3)7-12-9-14(16(18)19)17(15(12)13)5-6-20-4;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-7(2)9-5-12-10-4-3-8(11(14)15)6-13(9)10/h5-10,12H,11H2,1-4H3,(H,23,24);2*5-10,12H,11H2,1-4H3,(H,23,24);4-6,8,11-13H,7,9-10H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,21,22);7-10H,5-6H2,1-4H3,(H,18,19);5-10H,1-4H3;3-7H,1-2H3,(H,14,15)
InChIKeyFLMSWSYTCVKGDQ-UHFFFAOYSA-N
XLogP28.15
TPSA443.97 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002369.89
LogP ≤ 528.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Launch Full Analysis

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
CID 157585430
CID 157585430
CID 157796162
CID 157796162
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-(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
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
1-[5-Methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-yl-5-(triazol-2-yl)indole;7-propan-2-ylquinoline-2-carboxylic acid
CID 158522391
1-[(4,6-Dimethyl-2-pyridinyl)methyl]-5-(2-methoxyethoxy)-7-propan-2-ylindole-3-carboxylic acid;5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[(4-methoxypiperidin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-3-propan-2-yl-5-(1-pyridin-2-yl-1,2,4-triazol-3-yl)indole;1-(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethanone
CID 158712375
1-(2-Amino-2-oxoethyl)-3-propan-2-ylindole-5-carboxylic acid;1-(2-methoxyethyl)-5-[1-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-[2-[3-[1-(2-methoxyethyl)-3-propan-2-ylindol-5-yl]-1,2,4-triazol-1-yl]ethyl]morpholine;1-[3-[[3-[1-(2-methoxyethyl)-3-propan-2-ylindol-5-yl]-1,2,4-triazol-1-yl]methyl]azetidin-1-yl]ethanone;1-[4-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-3-yl]ethanone;1-[4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-3-yl]ethanone;1-[4-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-3-yl]ethanone;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;1-[(3-methyloxetan-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid;1-methyl-5-(piperidin-1-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid
CID 158896948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc2c(C(=O)O)cn(Cc3ccncc3)c12.CC(C)c1cn(C)c2ccc(-c3ncn(C)n3)cc12.CC(C)c1cn(C)c2ccc(-c3ncn(CC4COC4)n3)cc12.CC(C)c1cnc2ccc(C(=O)O)cn12.COCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1cc(C)ccn1.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccc(C)n1.COc1ccnc(Cn2c(C(=O)O)cc3c(OC)ccc(C(C)C)c32)c1.
What is the InChIKey of 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?
The InChIKey is FLMSWSYTCVKGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4.2C20H22N2O3.C18H22N4O.C18H18N2O2.C16H21NO3.C15H18N4.C11H12N2O2/c1-12(2)15-5-6-18(26-4)16-10-17(20(23)24)22(19(15)16)11-13-9-14(25-3)7-8-21-13;1-12(2)17-10-16(25-4)8-14-9-18(20(23)24)22(19(14)17)11-15-7-13(3)5-6-21-15;1-12(2)15-8-9-18(25-4)16-10-17(20(23)24)22(19(15)16)11-14-7-5-6-13(3)21-14;1-12(2)16-8-21(3)17-5-4-14(6-15(16)17)18-19-11-22(20-18)7-13-9-23-10-13;1-12(2)14-4-3-5-15-16(18(21)22)11-20(17(14)15)10-13-6-8-19-9-7-13;1-10(2)13-8-11(3)7-12-9-14(16(18)19)17(15(12)13)5-6-20-4;1-10(2)13-8-18(3)14-6-5-11(7-12(13)14)15-16-9-19(4)17-15;1-7(2)9-5-12-10-4-3-8(11(14)15)6-13(9)10/h5-10,12H,11H2,1-4H3,(H,23,24);2*5-10,12H,11H2,1-4H3,(H,23,24);4-6,8,11-13H,7,9-10H2,1-3H3;3-9,11-12H,10H2,1-2H3,(H,21,22);7-10H,5-6H2,1-4H3,(H,18,19);5-10H,1-4H3;3-7H,1-2H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 2369.89 g/mol, XLogP of 28.15, 33 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158068277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).