6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C116H140N18O17 — CID 159123300

IUPAC6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCN(C(C)C)CC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCN(C)CC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCNCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCOCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1C[C@@H](C)O[C@@H](C)C1)n2C
InChIInChI=1S/C25H32N4O3.C24H29N3O4.C23H28N4O3.C22H26N4O3.C22H25N3O4/c1-5-17-14-21(25(31)32)24(30)26-23(17)18-6-7-22-19(12-18)13-20(27(22)4)15-28-8-10-29(11-9-28)16(2)3;1-5-16-10-20(24(29)30)23(28)25-22(16)17-6-7-21-18(8-17)9-19(26(21)4)13-27-11-14(2)31-15(3)12-27;1-4-15-13-19(23(29)30)22(28)24-21(15)16-5-6-20-17(11-16)12-18(26(20)3)14-27-9-7-25(2)8-10-27;1-3-14-12-18(22(28)29)21(27)24-20(14)15-4-5-19-16(10-15)11-17(25(19)2)13-26-8-6-23-7-9-26;1-3-14-12-18(22(27)28)21(26)23-20(14)15-4-5-19-16(10-15)11-17(24(19)2)13-25-6-8-29-9-7-25/h6-7,12-14,16H,5,8-11,15H2,1-4H3,(H,26,30)(H,31,32);6-10,14-15H,5,11-13H2,1-4H3,(H,25,28)(H,29,30);5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,28)(H,29,30);4-5,10-12,23H,3,6-9,13H2,1-2H3,(H,24,27)(H,28,29);4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,26)(H,27,28)/t;14-,15+;;;
InChIKeyKFYUNGRHEKVSST-TYZKWYMUSA-N
MW2058.50 g/mol
LogP14.09
Rot. Bonds26

About 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 159123300) has the molecular formula C116H140N18O17 and a molecular weight of 2058.50 g/mol. Its IUPAC name is 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID159123300
Molecular FormulaC116H140N18O17
Molecular Weight2058.50 g/mol
Exact Mass2057.06
IUPAC Name6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCN(C(C)C)CC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCN(C)CC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCNCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCOCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1C[C@@H](C)O[C@@H](C)C1)n2C
InChIInChI=1S/C25H32N4O3.C24H29N3O4.C23H28N4O3.C22H26N4O3.C22H25N3O4/c1-5-17-14-21(25(31)32)24(30)26-23(17)18-6-7-22-19(12-18)13-20(27(22)4)15-28-8-10-29(11-9-28)16(2)3;1-5-16-10-20(24(29)30)23(28)25-22(16)17-6-7-21-18(8-17)9-19(26(21)4)13-27-11-14(2)31-15(3)12-27;1-4-15-13-19(23(29)30)22(28)24-21(15)16-5-6-20-17(11-16)12-18(26(20)3)14-27-9-7-25(2)8-10-27;1-3-14-12-18(22(28)29)21(27)24-20(14)15-4-5-19-16(10-15)11-17(25(19)2)13-26-8-6-23-7-9-26;1-3-14-12-18(22(27)28)21(26)23-20(14)15-4-5-19-16(10-15)11-17(24(19)2)13-25-6-8-29-9-7-25/h6-7,12-14,16H,5,8-11,15H2,1-4H3,(H,26,30)(H,31,32);6-10,14-15H,5,11-13H2,1-4H3,(H,25,28)(H,29,30);5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,28)(H,29,30);4-5,10-12,23H,3,6-9,13H2,1-2H3,(H,24,27)(H,28,29);4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,26)(H,27,28)/t;14-,15+;;;
InChIKeyKFYUNGRHEKVSST-TYZKWYMUSA-N
XLogP14.09
TPSA428.62 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002058.50
LogP ≤ 514.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[[2-(3-methoxypropyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(3S)-3-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[methyl(piperidin-4-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(trifluoromethyl)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 157812671
6-[2-[(tert-butylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[(1R,5S)-6-(dibenzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(3-fluoroazetidin-1-yl)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 158432717
6-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 160543410
6-[2-[(4,4-difluoropiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[4-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methylpiperidin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 162020580
6-[2-[[(3aR,4R,7aS)-4-(dibenzylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[(3aR,4R,7aS)-4-(methylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951081
4-[6-[2-[[(3aR,4R,7aS)-4-(dibenzylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbonyl]oxy-6-[2-[[(3aR,4R,7aS)-4-(methylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951082
6-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[(1S,5R)-6-(dibenzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951561
6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid
CID 157121318
5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid
CID 157139964
15-(Diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 157183421
6-[2-[[benzyl(methyl)amino]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylethyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1R)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(pyridin-2-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 157210146
tert-butyl 3-(aminomethyl)-9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;tert-butyl 3-[[(3-ethoxy-3-oxopropyl)amino]methyl]-9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;ethyl 3-[8-[(4-fluorophenyl)methyl]-12-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoate;ethyl 3-[[9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[3,4-b]indol-3-yl]methylamino]propanoate;ethyl prop-2-enoate;3-[8-[(4-fluorophenyl)methyl]-12-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]propanoic acid
CID 157482269

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 159123300) is 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCN(C(C)C)CC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCN(C)CC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCNCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCOCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1C[C@@H](C)O[C@@H](C)C1)n2C.
What is the InChIKey of 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KFYUNGRHEKVSST-TYZKWYMUSA-N. The full InChI is InChI=1S/C25H32N4O3.C24H29N3O4.C23H28N4O3.C22H26N4O3.C22H25N3O4/c1-5-17-14-21(25(31)32)24(30)26-23(17)18-6-7-22-19(12-18)13-20(27(22)4)15-28-8-10-29(11-9-28)16(2)3;1-5-16-10-20(24(29)30)23(28)25-22(16)17-6-7-21-18(8-17)9-19(26(21)4)13-27-11-14(2)31-15(3)12-27;1-4-15-13-19(23(29)30)22(28)24-21(15)16-5-6-20-17(11-16)12-18(26(20)3)14-27-9-7-25(2)8-10-27;1-3-14-12-18(22(28)29)21(27)24-20(14)15-4-5-19-16(10-15)11-17(25(19)2)13-26-8-6-23-7-9-26;1-3-14-12-18(22(27)28)21(26)23-20(14)15-4-5-19-16(10-15)11-17(24(19)2)13-25-6-8-29-9-7-25/h6-7,12-14,16H,5,8-11,15H2,1-4H3,(H,26,30)(H,31,32);6-10,14-15H,5,11-13H2,1-4H3,(H,25,28)(H,29,30);5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,28)(H,29,30);4-5,10-12,23H,3,6-9,13H2,1-2H3,(H,24,27)(H,28,29);4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,26)(H,27,28)/t;14-,15+;;;.
What are the key properties of 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2058.50 g/mol, XLogP of 14.09, 26 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(piperazin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 159123300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).