ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one

C251H222FN26O33+ — CID 160827790

IUPACethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one
SMILESCCCC(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(N)=O)ccn3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cccc(C(=O)CCc4ccc(C(=O)OCc5ccccc5)cc4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cccc(C(=O)CCc4ccc5c(c4)OCO5)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccc(F)c(C)c4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cncc(C(=O)CCc4ccc(OC)cc4OC)c3)ccc2[nH]1.CON(C)C(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.C[N+]1=C(c2ccc3[nH]ccc3c2)CC(C(=O)CCc2ccc(C(=O)O)cc2)=N1.Cn1nc(C(=O)CCC2=CCC(=O)C=C2)cc1-c1ccc2[nH]ccc2c1.O=C(CCc1ccncc1)c1cc(-c2ccc3[nH]c(C(=O)Cc4ccncc4)cc3c2)ccn1
InChIInChI=1S/C34H29NO5.C28H22N4O2.C27H26N2O5.C27H23NO5.C26H23FN2O3.C25H23N3O2.C24H22N4O3.C22H19N3O3.C21H19N3O2.C17H15N3O3/c1-2-39-34(38)31-21-29-20-27(16-17-30(29)35-31)26-9-6-10-28(19-26)32(36)18-13-23-11-14-25(15-12-23)33(37)40-22-24-7-4-3-5-8-24;33-27(4-1-19-5-10-29-11-6-19)25-17-22(9-14-31-25)21-2-3-24-23(16-21)18-26(32-24)28(34)15-20-7-12-30-13-8-20;1-4-34-27(31)24-13-19-11-18(6-9-23(19)29-24)20-12-21(16-28-15-20)25(30)10-7-17-5-8-22(32-2)14-26(17)33-3;1-2-31-27(30)23-15-21-14-19(8-9-22(21)28-23)18-4-3-5-20(13-18)24(29)10-6-17-7-11-25-26(12-17)33-16-32-25;1-3-32-26(31)24-15-20-13-18(6-8-22(20)29-24)19-10-11-28-23(14-19)25(30)9-5-17-4-7-21(27)16(2)12-17;1-2-3-24(29)23-16-20-14-18(5-6-21(20)28-23)19-10-13-27-22(15-19)25(30)7-4-17-8-11-26-12-9-17;1-28(31-2)24(30)22-15-19-13-17(4-5-20(19)27-22)18-9-12-26-21(14-18)23(29)6-3-16-7-10-25-11-8-16;1-25-20(17-7-8-18-16(12-17)10-11-23-18)13-19(24-25)21(26)9-4-14-2-5-15(6-3-14)22(27)28;1-24-20(16-5-8-18-15(12-16)10-11-22-18)13-19(23-24)21(26)9-4-14-2-6-17(25)7-3-14;1-2-23-17(22)15-9-12-7-10(3-4-13(12)20-15)14-8-11(16(18)21)5-6-19-14/h3-12,14-17,19-21,35H,2,13,18,22H2,1H3;2-3,5-14,16-18,32H,1,4,15H2;5-6,8-9,11-16,29H,4,7,10H2,1-3H3;3-5,7-9,11-15,28H,2,6,10,16H2,1H3;4,6-8,10-15,29H,3,5,9H2,1-2H3;5-6,8-16,28H,2-4,7H2,1H3;4-5,7-15,27H,3,6H2,1-2H3;2-3,5-8,10-12H,4,9,13H2,1H3,(H,27,28);2-3,5-6,8,10-13,22H,4,7,9H2,1H3;3-9,20H,2H2,1H3,(H2,18,21)/p+1
InChIKeyRGAYFUDNTRNVCA-UHFFFAOYSA-O
MW4149.68 g/mol
LogP48.16
Rot. Bonds71

About ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one

ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one (PubChem CID 160827790) has the molecular formula C251H222FN26O33+ and a molecular weight of 4149.68 g/mol. Its IUPAC name is ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Nameethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one
PubChem CID160827790
Molecular FormulaC251H222FN26O33+
Molecular Weight4149.68 g/mol
Exact Mass4146.65
IUPAC Nameethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one
SMILESCCCC(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(N)=O)ccn3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cccc(C(=O)CCc4ccc(C(=O)OCc5ccccc5)cc4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cccc(C(=O)CCc4ccc5c(c4)OCO5)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccc(F)c(C)c4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cncc(C(=O)CCc4ccc(OC)cc4OC)c3)ccc2[nH]1.CON(C)C(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.C[N+]1=C(c2ccc3[nH]ccc3c2)CC(C(=O)CCc2ccc(C(=O)O)cc2)=N1.Cn1nc(C(=O)CCC2=CCC(=O)C=C2)cc1-c1ccc2[nH]ccc2c1.O=C(CCc1ccncc1)c1cc(-c2ccc3[nH]c(C(=O)Cc4ccncc4)cc3c2)ccn1
InChIInChI=1S/C34H29NO5.C28H22N4O2.C27H26N2O5.C27H23NO5.C26H23FN2O3.C25H23N3O2.C24H22N4O3.C22H19N3O3.C21H19N3O2.C17H15N3O3/c1-2-39-34(38)31-21-29-20-27(16-17-30(29)35-31)26-9-6-10-28(19-26)32(36)18-13-23-11-14-25(15-12-23)33(37)40-22-24-7-4-3-5-8-24;33-27(4-1-19-5-10-29-11-6-19)25-17-22(9-14-31-25)21-2-3-24-23(16-21)18-26(32-24)28(34)15-20-7-12-30-13-8-20;1-4-34-27(31)24-13-19-11-18(6-9-23(19)29-24)20-12-21(16-28-15-20)25(30)10-7-17-5-8-22(32-2)14-26(17)33-3;1-2-31-27(30)23-15-21-14-19(8-9-22(21)28-23)18-4-3-5-20(13-18)24(29)10-6-17-7-11-25-26(12-17)33-16-32-25;1-3-32-26(31)24-15-20-13-18(6-8-22(20)29-24)19-10-11-28-23(14-19)25(30)9-5-17-4-7-21(27)16(2)12-17;1-2-3-24(29)23-16-20-14-18(5-6-21(20)28-23)19-10-13-27-22(15-19)25(30)7-4-17-8-11-26-12-9-17;1-28(31-2)24(30)22-15-19-13-17(4-5-20(19)27-22)18-9-12-26-21(14-18)23(29)6-3-16-7-10-25-11-8-16;1-25-20(17-7-8-18-16(12-17)10-11-23-18)13-19(24-25)21(26)9-4-14-2-5-15(6-3-14)22(27)28;1-24-20(16-5-8-18-15(12-16)10-11-22-18)13-19(23-24)21(26)9-4-14-2-6-17(25)7-3-14;1-2-23-17(22)15-9-12-7-10(3-4-13(12)20-15)14-8-11(16(18)21)5-6-19-14/h3-12,14-17,19-21,35H,2,13,18,22H2,1H3;2-3,5-14,16-18,32H,1,4,15H2;5-6,8-9,11-16,29H,4,7,10H2,1-3H3;3-5,7-9,11-15,28H,2,6,10,16H2,1H3;4,6-8,10-15,29H,3,5,9H2,1-2H3;5-6,8-16,28H,2-4,7H2,1H3;4-5,7-15,27H,3,6H2,1-2H3;2-3,5-8,10-12H,4,9,13H2,1H3,(H,27,28);2-3,5-6,8,10-13,22H,4,7,9H2,1H3;3-9,20H,2H2,1H3,(H2,18,21)/p+1
InChIKeyRGAYFUDNTRNVCA-UHFFFAOYSA-O
XLogP48.16
TPSA829.48 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds71
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004149.68
LogP ≤ 548.16
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

Benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone
CID 158921984
N-(2-acetamidoethyl)-3-[(E)-2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-acetyl-3-pyridinyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-acetyl-3-pyridinyl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
CID 161102754

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one?
The IUPAC name of ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one (CID 160827790) is ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one?
The canonical SMILES for ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one is CCCC(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cc(C(N)=O)ccn3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cccc(C(=O)CCc4ccc(C(=O)OCc5ccccc5)cc4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cccc(C(=O)CCc4ccc5c(c4)OCO5)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccc(F)c(C)c4)c3)ccc2[nH]1.CCOC(=O)c1cc2cc(-c3cncc(C(=O)CCc4ccc(OC)cc4OC)c3)ccc2[nH]1.CON(C)C(=O)c1cc2cc(-c3ccnc(C(=O)CCc4ccncc4)c3)ccc2[nH]1.C[N+]1=C(c2ccc3[nH]ccc3c2)CC(C(=O)CCc2ccc(C(=O)O)cc2)=N1.Cn1nc(C(=O)CCC2=CCC(=O)C=C2)cc1-c1ccc2[nH]ccc2c1.O=C(CCc1ccncc1)c1cc(-c2ccc3[nH]c(C(=O)Cc4ccncc4)cc3c2)ccn1.
What is the InChIKey of ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one?
The InChIKey is RGAYFUDNTRNVCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H29NO5.C28H22N4O2.C27H26N2O5.C27H23NO5.C26H23FN2O3.C25H23N3O2.C24H22N4O3.C22H19N3O3.C21H19N3O2.C17H15N3O3/c1-2-39-34(38)31-21-29-20-27(16-17-30(29)35-31)26-9-6-10-28(19-26)32(36)18-13-23-11-14-25(15-12-23)33(37)40-22-24-7-4-3-5-8-24;33-27(4-1-19-5-10-29-11-6-19)25-17-22(9-14-31-25)21-2-3-24-23(16-21)18-26(32-24)28(34)15-20-7-12-30-13-8-20;1-4-34-27(31)24-13-19-11-18(6-9-23(19)29-24)20-12-21(16-28-15-20)25(30)10-7-17-5-8-22(32-2)14-26(17)33-3;1-2-31-27(30)23-15-21-14-19(8-9-22(21)28-23)18-4-3-5-20(13-18)24(29)10-6-17-7-11-25-26(12-17)33-16-32-25;1-3-32-26(31)24-15-20-13-18(6-8-22(20)29-24)19-10-11-28-23(14-19)25(30)9-5-17-4-7-21(27)16(2)12-17;1-2-3-24(29)23-16-20-14-18(5-6-21(20)28-23)19-10-13-27-22(15-19)25(30)7-4-17-8-11-26-12-9-17;1-28(31-2)24(30)22-15-19-13-17(4-5-20(19)27-22)18-9-12-26-21(14-18)23(29)6-3-16-7-10-25-11-8-16;1-25-20(17-7-8-18-16(12-17)10-11-23-18)13-19(24-25)21(26)9-4-14-2-5-15(6-3-14)22(27)28;1-24-20(16-5-8-18-15(12-16)10-11-22-18)13-19(23-24)21(26)9-4-14-2-6-17(25)7-3-14;1-2-23-17(22)15-9-12-7-10(3-4-13(12)20-15)14-8-11(16(18)21)5-6-19-14/h3-12,14-17,19-21,35H,2,13,18,22H2,1H3;2-3,5-14,16-18,32H,1,4,15H2;5-6,8-9,11-16,29H,4,7,10H2,1-3H3;3-5,7-9,11-15,28H,2,6,10,16H2,1H3;4,6-8,10-15,29H,3,5,9H2,1-2H3;5-6,8-16,28H,2-4,7H2,1H3;4-5,7-15,27H,3,6H2,1-2H3;2-3,5-8,10-12H,4,9,13H2,1H3,(H,27,28);2-3,5-6,8,10-13,22H,4,7,9H2,1H3;3-9,20H,2H2,1H3,(H2,18,21)/p+1.
What are the key properties of ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one?
ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one has a molecular weight of 4149.68 g/mol, XLogP of 48.16, 71 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[3-(1,3-benzodioxol-5-yl)propanoyl]phenyl]-1H-indole-2-carboxylate;ethyl 5-(4-carbamoyl-2-pyridinyl)-1H-indole-2-carboxylate;ethyl 5-[5-[3-(2,4-dimethoxyphenyl)propanoyl]-3-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[2-[3-(4-fluoro-3-methylphenyl)propanoyl]-4-pyridinyl]-1H-indole-2-carboxylate;ethyl 5-[3-[3-(4-phenylmethoxycarbonylphenyl)propanoyl]phenyl]-1H-indole-2-carboxylate;4-[3-[5-(1H-indol-5-yl)-1-methyl-4H-pyrazol-1-ium-3-yl]-3-oxopropyl]benzoic acid;4-[3-[5-(1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]cyclohexa-2,4-dien-1-one;N-methoxy-N-methyl-5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indole-2-carboxamide;1-[5-[2-(3-pyridin-4-ylpropanoyl)-4-pyridinyl]-1H-indol-2-yl]butan-1-one;3-pyridin-4-yl-1-[4-[2-(2-pyridin-4-ylacetyl)-1H-indol-5-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 160827790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).