3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate

C158H136F8N18O32 — CID 159687410

IUPAC3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1C=O.COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1.COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1c(C(=O)O)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1c(C=O)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1cc2ccc(OC)cc2[nH]1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(=O)O)n(Cc3ccccn3)c2c1.O=C(NCc1ccc(F)c(F)c1)c1c(C(=O)O)n(Cc2ccccn2)c2cc(O)ccc12
InChIInChI=1S/C27H25F2N3O4.C25H21F2N3O4.C24H19F2N3O4.C23H17F2N3O4.C18H16N2O5.C18H16N2O4.C12H11NO4.C11H11NO3/c1-16(2)36-19-8-9-20-23(13-19)32(15-18-6-4-5-11-30-18)25(27(34)35-3)24(20)26(33)31-14-17-7-10-21(28)22(29)12-17;1-33-17-7-8-18-21(12-17)30(14-16-5-3-4-10-28-16)23(25(32)34-2)22(18)24(31)29-13-15-6-9-19(26)20(27)11-15;1-33-16-6-7-17-20(11-16)29(13-15-4-2-3-9-27-15)22(24(31)32)21(17)23(30)28-12-14-5-8-18(25)19(26)10-14;24-17-7-4-13(9-18(17)25)11-27-22(30)20-16-6-5-15(29)10-19(16)28(21(20)23(31)32)12-14-3-1-2-8-26-14;1-24-12-6-7-13-14(9-12)20(10-11-5-3-4-8-19-11)16(18(23)25-2)15(13)17(21)22;1-23-13-6-7-14-15(11-21)17(18(22)24-2)20(16(14)9-13)10-12-5-3-4-8-19-12;1-16-7-3-4-8-9(6-14)11(12(15)17-2)13-10(8)5-7;1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8/h4-13,16H,14-15H2,1-3H3,(H,31,33);3-12H,13-14H2,1-2H3,(H,29,31);2-11H,12-13H2,1H3,(H,28,30)(H,31,32);1-10,29H,11-12H2,(H,27,30)(H,31,32);3-9H,10H2,1-2H3,(H,21,22);3-9,11H,10H2,1-2H3;3-6,13H,1-2H3;3-6,12H,1-2H3
InChIKeyMVYYJEIUYYUDKH-UHFFFAOYSA-N
MW2950.90 g/mol
LogP25.66
Rot. Bonds43

About 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate

3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate (PubChem CID 159687410) has the molecular formula C158H136F8N18O32 and a molecular weight of 2950.90 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate
PubChem CID159687410
Molecular FormulaC158H136F8N18O32
Molecular Weight2950.90 g/mol
Exact Mass2948.94
IUPAC Name3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1C=O.COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1.COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1c(C(=O)O)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1c(C=O)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1cc2ccc(OC)cc2[nH]1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(=O)O)n(Cc3ccccn3)c2c1.O=C(NCc1ccc(F)c(F)c1)c1c(C(=O)O)n(Cc2ccccn2)c2cc(O)ccc12
InChIInChI=1S/C27H25F2N3O4.C25H21F2N3O4.C24H19F2N3O4.C23H17F2N3O4.C18H16N2O5.C18H16N2O4.C12H11NO4.C11H11NO3/c1-16(2)36-19-8-9-20-23(13-19)32(15-18-6-4-5-11-30-18)25(27(34)35-3)24(20)26(33)31-14-17-7-10-21(28)22(29)12-17;1-33-17-7-8-18-21(12-17)30(14-16-5-3-4-10-28-16)23(25(32)34-2)22(18)24(31)29-13-15-6-9-19(26)20(27)11-15;1-33-16-6-7-17-20(11-16)29(13-15-4-2-3-9-27-15)22(24(31)32)21(17)23(30)28-12-14-5-8-18(25)19(26)10-14;24-17-7-4-13(9-18(17)25)11-27-22(30)20-16-6-5-15(29)10-19(16)28(21(20)23(31)32)12-14-3-1-2-8-26-14;1-24-12-6-7-13-14(9-12)20(10-11-5-3-4-8-19-11)16(18(23)25-2)15(13)17(21)22;1-23-13-6-7-14-15(11-21)17(18(22)24-2)20(16(14)9-13)10-12-5-3-4-8-19-12;1-16-7-3-4-8-9(6-14)11(12(15)17-2)13-10(8)5-7;1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8/h4-13,16H,14-15H2,1-3H3,(H,31,33);3-12H,13-14H2,1-2H3,(H,29,31);2-11H,12-13H2,1H3,(H,28,30)(H,31,32);1-10,29H,11-12H2,(H,27,30)(H,31,32);3-9H,10H2,1-2H3,(H,21,22);3-9,11H,10H2,1-2H3;3-6,13H,1-2H3;3-6,12H,1-2H3
InChIKeyMVYYJEIUYYUDKH-UHFFFAOYSA-N
XLogP25.66
TPSA643.58 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds43
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.90
LogP ≤ 525.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

Amino formate;benzyl 5-[2-methyl-1-[[3-[2-[[3-[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]indolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoate;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
CID 157094670
1-benzofuran-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[5-(1,1-difluoroethyl)furan-2-yl]-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(3,5-dimethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-ethylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;5-[1-(1H-indol-3-yl)ethenyl]-2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(5-methylfuran-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-2-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;1,3-oxazol-5-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 158064950
2-(3-ethoxycarbonylindol-1-yl)acetic acid;ethyl 1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxylate;1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxamide;1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxylic acid;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 158967652
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
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 160633443
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[6-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161285548
tert-butyl 7-[6-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-4,6,7-trifluoro-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylate;tert-butyl 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4,5,7-trifluoro-6-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4,5,7-trifluoro-6-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetaldehyde
CID 161604781
3,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole;1,7-dimethoxy-9H-pyrido[3,4-b]indole;3-fluoro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3-fluoro-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;2-hydroxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-7-ol;1-methoxy-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;3-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;7-methoxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one;7-methoxy-1-(trifluoromethyl)-9H-pyrido[3,4-b]indole;1-(trifluoromethyl)-2,9-dihydropyrido[3,4-b]indol-7-one
CID 162223210
CID 163840354
CID 163840354
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 167558654
Piperazine, 1-benzoyl-4-[2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,2-dioxoethyl]-& Ac-WQEWEQKITA LLEQAQIQQE KNEYELQKLD KWASLWEWF-NH2
CID 16186132

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate (CID 159687410) is 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)ccc2c1C=O.COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1.COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1c(C(=O)O)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1c(C=O)c2ccc(OC)cc2n1Cc1ccccn1.COC(=O)c1cc2ccc(OC)cc2[nH]1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(=O)O)n(Cc3ccccn3)c2c1.O=C(NCc1ccc(F)c(F)c1)c1c(C(=O)O)n(Cc2ccccn2)c2cc(O)ccc12.
What is the InChIKey of 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate?
The InChIKey is MVYYJEIUYYUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4.C25H21F2N3O4.C24H19F2N3O4.C23H17F2N3O4.C18H16N2O5.C18H16N2O4.C12H11NO4.C11H11NO3/c1-16(2)36-19-8-9-20-23(13-19)32(15-18-6-4-5-11-30-18)25(27(34)35-3)24(20)26(33)31-14-17-7-10-21(28)22(29)12-17;1-33-17-7-8-18-21(12-17)30(14-16-5-3-4-10-28-16)23(25(32)34-2)22(18)24(31)29-13-15-6-9-19(26)20(27)11-15;1-33-16-6-7-17-20(11-16)29(13-15-4-2-3-9-27-15)22(24(31)32)21(17)23(30)28-12-14-5-8-18(25)19(26)10-14;24-17-7-4-13(9-18(17)25)11-27-22(30)20-16-6-5-15(29)10-19(16)28(21(20)23(31)32)12-14-3-1-2-8-26-14;1-24-12-6-7-13-14(9-12)20(10-11-5-3-4-8-19-11)16(18(23)25-2)15(13)17(21)22;1-23-13-6-7-14-15(11-21)17(18(22)24-2)20(16(14)9-13)10-12-5-3-4-8-19-12;1-16-7-3-4-8-9(6-14)11(12(15)17-2)13-10(8)5-7;1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8/h4-13,16H,14-15H2,1-3H3,(H,31,33);3-12H,13-14H2,1-2H3,(H,29,31);2-11H,12-13H2,1H3,(H,28,30)(H,31,32);1-10,29H,11-12H2,(H,27,30)(H,31,32);3-9H,10H2,1-2H3,(H,21,22);3-9,11H,10H2,1-2H3;3-6,13H,1-2H3;3-6,12H,1-2H3.
What are the key properties of 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate?
3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate has a molecular weight of 2950.90 g/mol, XLogP of 25.66, 43 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;6-methoxy-2-methoxycarbonyl-1-(pyridin-2-ylmethyl)indole-3-carboxylic acid;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 3-formyl-6-methoxy-1H-indole-2-carboxylate;methyl 3-formyl-6-methoxy-1-(pyridin-2-ylmethyl)indole-2-carboxylate;methyl 6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 159687410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).