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

C222H274N32O26 — CID 158500897

IUPAC5-[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
SMILESCC(=O)c1cnc2c(n1)c(C(C)C)cn2C.CC(C)C1=CC(CCN2CCCC2)c2ccc(-c3ncn(C)n3)cc21.CC(C)c1cc(C(=O)N2CCCCC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(OCCN(C)C)cc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(C)n3)cc12.COCCn1c(C(=O)O)cc2c(OC)ccc(C(C)C)c21.COCCn1cc(C(C)C)c2cc(-c3ncn(CC4CC4)n3)ccc21.COc1c(OCc2ccccc2)cc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccc(C)n1.Cc1ccnc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C(C)C)c32)c1.Cc1ccnc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C(C)C)c32)c1
InChIInChI=1S/C26H26N2O4.2C23H29N3O3.C22H27N3O3.C21H28N4.C20H27N5O.C20H26N4O.C20H22N2O3.C19H24N2O3.C16H21NO4.C12H15N3O/c1-17(2)20-14-23(32-16-18-9-5-4-6-10-18)25(31-3)21-13-22(26(29)30)28(24(20)21)15-19-11-7-8-12-27-19;2*1-15(2)20-13-19(29-9-8-25(4)5)11-17-12-21(23(27)28)26(22(17)20)14-18-10-16(3)6-7-24-18;1-15(2)19-13-18(28-10-9-24(3)4)11-16-12-20(22(26)27)25(21(16)19)14-17-7-5-6-8-23-17;1-15(2)19-12-16(8-11-25-9-4-5-10-25)18-7-6-17(13-20(18)19)21-22-14-24(3)23-21;1-15(2)18-13-25(7-6-24-8-10-26-11-9-24)19-5-4-16(12-17(18)19)20-21-14-23(3)22-20;1-14(2)18-12-23(8-9-25-3)19-7-6-16(10-17(18)19)20-21-13-24(22-20)11-15-4-5-15;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)15-10-14(18(22)21-7-5-4-6-8-21)9-13-11-16(19(23)24)20(3)17(13)15;1-10(2)11-5-6-14(21-4)12-9-13(16(18)19)17(15(11)12)7-8-20-3;1-7(2)9-6-15(4)12-11(9)14-10(5-13-12)8(3)16/h4-14,17H,15-16H2,1-3H3,(H,29,30);2*6-7,10-13,15H,8-9,14H2,1-5H3,(H,27,28);5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,27);6-7,12-16H,4-5,8-11H2,1-3H3;4-5,12-15H,6-11H2,1-3H3;6-7,10,12-15H,4-5,8-9,11H2,1-3H3;5-10,12H,11H2,1-4H3,(H,23,24);9-12H,4-8H2,1-3H3,(H,23,24);5-6,9-10H,7-8H2,1-4H3,(H,18,19);5-7H,1-4H3
InChIKeyHJWMIJMLAQNPBY-UHFFFAOYSA-N
MW3806.83 g/mol
LogP41.99
Rot. Bonds65

About 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

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 (PubChem CID 158500897) has the molecular formula C222H274N32O26 and a molecular weight of 3806.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158500897
Molecular FormulaC222H274N32O26
Molecular Weight3806.83 g/mol
Exact Mass3804.11
IUPAC Name5-[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
SMILESCC(=O)c1cnc2c(n1)c(C(C)C)cn2C.CC(C)C1=CC(CCN2CCCC2)c2ccc(-c3ncn(C)n3)cc21.CC(C)c1cc(C(=O)N2CCCCC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(OCCN(C)C)cc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(C)n3)cc12.COCCn1c(C(=O)O)cc2c(OC)ccc(C(C)C)c21.COCCn1cc(C(C)C)c2cc(-c3ncn(CC4CC4)n3)ccc21.COc1c(OCc2ccccc2)cc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccc(C)n1.Cc1ccnc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C(C)C)c32)c1.Cc1ccnc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C(C)C)c32)c1
InChIInChI=1S/C26H26N2O4.2C23H29N3O3.C22H27N3O3.C21H28N4.C20H27N5O.C20H26N4O.C20H22N2O3.C19H24N2O3.C16H21NO4.C12H15N3O/c1-17(2)20-14-23(32-16-18-9-5-4-6-10-18)25(31-3)21-13-22(26(29)30)28(24(20)21)15-19-11-7-8-12-27-19;2*1-15(2)20-13-19(29-9-8-25(4)5)11-17-12-21(23(27)28)26(22(17)20)14-18-10-16(3)6-7-24-18;1-15(2)19-13-18(28-10-9-24(3)4)11-16-12-20(22(26)27)25(21(16)19)14-17-7-5-6-8-23-17;1-15(2)19-12-16(8-11-25-9-4-5-10-25)18-7-6-17(13-20(18)19)21-22-14-24(3)23-21;1-15(2)18-13-25(7-6-24-8-10-26-11-9-24)19-5-4-16(12-17(18)19)20-21-14-23(3)22-20;1-14(2)18-12-23(8-9-25-3)19-7-6-16(10-17(18)19)20-21-13-24(22-20)11-15-4-5-15;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)15-10-14(18(22)21-7-5-4-6-8-21)9-13-11-16(19(23)24)20(3)17(13)15;1-10(2)11-5-6-14(21-4)12-9-13(16(18)19)17(15(11)12)7-8-20-3;1-7(2)9-6-15(4)12-11(9)14-10(5-13-12)8(3)16/h4-14,17H,15-16H2,1-3H3,(H,29,30);2*6-7,10-13,15H,8-9,14H2,1-5H3,(H,27,28);5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,27);6-7,12-16H,4-5,8-11H2,1-3H3;4-5,12-15H,6-11H2,1-3H3;6-7,10,12-15H,4-5,8-9,11H2,1-3H3;5-10,12H,11H2,1-4H3,(H,23,24);9-12H,4-8H2,1-3H3,(H,23,24);5-6,9-10H,7-8H2,1-4H3,(H,18,19);5-7H,1-4H3
InChIKeyHJWMIJMLAQNPBY-UHFFFAOYSA-N
XLogP41.99
TPSA638.64 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds65
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003806.83
LogP ≤ 541.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Analyze 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 with MolForge

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Related Compounds

CID 157071424
CID 157071424
benzene;1-benzyl-3-methylindole;5-butoxy-3-methyl-1H-indole;1-butoxy-4-propylbenzene;1-butyl-3-methylindole;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;1-ethyl-4-methylindole;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;1-methylanthracene;9-methylanthracene;1-methyl-3,5-diphenylbenzene;4-methyl-2,6-diphenylpyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;8-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridine;9-methylphenanthrene;3-methylquinoline;3-methyl-1H-quinolin-4-one;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;2-propylnaphthalene
CID 157562516
CID 157796162
CID 157796162
2-(1,2-Dimethylindolizin-3-yl)-6,8-dimethylquinoline-4-carboxylic acid;6,8-dimethyl-2-(3-methylimidazo[1,2-a]pyridin-2-yl)quinoline-4-carboxylic acid;6,8-dimethyl-2-(2-methylindolizin-3-yl)quinoline-4-carboxylic acid;6,8-dimethyl-2-(7-methylpyrrolo[1,2-a]pyrazin-6-yl)quinoline-4-carboxylic acid;6,8-dimethyl-2-(7-methylpyrrolo[1,2-a]pyrimidin-6-yl)quinoline-4-carboxylic acid;5,8-dimethyl-2-(3-propan-2-yl-1-benzofuran-2-yl)quinoline-4-carboxylic acid;2-(3-ethynyl-1-benzofuran-2-yl)-5,8-dimethylquinoline-4-carboxylic acid
CID 157911441
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
CID 158178890
CID 158178890
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;2-(5,5-dimethylhexoxymethyl)pyridine;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2,5,5-trimethylhex-3-yn-2-ol
CID 158305847
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)pentan-2-one;5,5-dimethylhexan-1-ol;2-(5,5-dimethylhexoxymethyl)pyridine;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2-methoxy-2,5,5-trimethylhex-3-yne;2,2,5,5-tetramethylhex-3-yne;1,1,1-trideuterio-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-1-en-3-yne;2,5,5-trimethylhex-3-yn-2-ol
CID 158344914
CID 158365930
CID 158365930
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cnc2c(n1)c(C(C)C)cn2C.CC(C)C1=CC(CCN2CCCC2)c2ccc(-c3ncn(C)n3)cc21.CC(C)c1cc(C(=O)N2CCCCC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(OCCN(C)C)cc2cc(C(=O)O)n(Cc3ccccn3)c12.CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(C)n3)cc12.COCCn1c(C(=O)O)cc2c(OC)ccc(C(C)C)c21.COCCn1cc(C(C)C)c2cc(-c3ncn(CC4CC4)n3)ccc21.COc1c(OCc2ccccc2)cc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccc(C)n1.Cc1ccnc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C(C)C)c32)c1.Cc1ccnc(Cn2c(C(=O)O)cc3cc(OCCN(C)C)cc(C(C)C)c32)c1.
What is the InChIKey of 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?
The InChIKey is HJWMIJMLAQNPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4.2C23H29N3O3.C22H27N3O3.C21H28N4.C20H27N5O.C20H26N4O.C20H22N2O3.C19H24N2O3.C16H21NO4.C12H15N3O/c1-17(2)20-14-23(32-16-18-9-5-4-6-10-18)25(31-3)21-13-22(26(29)30)28(24(20)21)15-19-11-7-8-12-27-19;2*1-15(2)20-13-19(29-9-8-25(4)5)11-17-12-21(23(27)28)26(22(17)20)14-18-10-16(3)6-7-24-18;1-15(2)19-13-18(28-10-9-24(3)4)11-16-12-20(22(26)27)25(21(16)19)14-17-7-5-6-8-23-17;1-15(2)19-12-16(8-11-25-9-4-5-10-25)18-7-6-17(13-20(18)19)21-22-14-24(3)23-21;1-15(2)18-13-25(7-6-24-8-10-26-11-9-24)19-5-4-16(12-17(18)19)20-21-14-23(3)22-20;1-14(2)18-12-23(8-9-25-3)19-7-6-16(10-17(18)19)20-21-13-24(22-20)11-15-4-5-15;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)15-10-14(18(22)21-7-5-4-6-8-21)9-13-11-16(19(23)24)20(3)17(13)15;1-10(2)11-5-6-14(21-4)12-9-13(16(18)19)17(15(11)12)7-8-20-3;1-7(2)9-6-15(4)12-11(9)14-10(5-13-12)8(3)16/h4-14,17H,15-16H2,1-3H3,(H,29,30);2*6-7,10-13,15H,8-9,14H2,1-5H3,(H,27,28);5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,27);6-7,12-16H,4-5,8-11H2,1-3H3;4-5,12-15H,6-11H2,1-3H3;6-7,10,12-15H,4-5,8-9,11H2,1-3H3;5-10,12H,11H2,1-4H3,(H,23,24);9-12H,4-8H2,1-3H3,(H,23,24);5-6,9-10H,7-8H2,1-4H3,(H,18,19);5-7H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3806.83 g/mol, XLogP of 41.99, 65 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158500897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).