6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C116H140N18O22 — CID 158176172

IUPAC6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCC(N)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC(NC)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC(O)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCCC(O)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC[C@H](N)C2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C24H30N4O4.2C23H28N4O4.2C23H27N3O5/c1-4-18-21(26-23(30)20(22(18)29)24(31)32)14-5-6-19-15(11-14)12-17(27(19)3)13-28-9-7-16(25-2)8-10-28;1-3-17-20(25-22(29)19(21(17)28)23(30)31)13-4-5-18-14(10-13)11-16(26(18)2)12-27-8-6-15(24)7-9-27;1-3-17-20(25-22(29)19(21(17)28)23(30)31)13-6-7-18-14(9-13)10-16(26(18)2)12-27-8-4-5-15(24)11-27;1-3-17-20(24-22(29)19(21(17)28)23(30)31)13-4-5-18-14(10-13)11-15(25(18)2)12-26-8-6-16(27)7-9-26;1-3-17-20(24-22(29)19(21(17)28)23(30)31)13-6-7-18-14(9-13)10-15(25(18)2)11-26-8-4-5-16(27)12-26/h5-6,11-12,16,25H,4,7-10,13H2,1-3H3,(H,31,32)(H2,26,29,30);4-5,10-11,15H,3,6-9,12,24H2,1-2H3,(H,30,31)(H2,25,28,29);6-7,9-10,15H,3-5,8,11-12,24H2,1-2H3,(H,30,31)(H2,25,28,29);4-5,10-11,16,27H,3,6-9,12H2,1-2H3,(H,30,31)(H2,24,28,29);6-7,9-10,16,27H,3-5,8,11-12H2,1-2H3,(H,30,31)(H2,24,28,29)/t;;15-;;/m..0../s1
InChIKeyFYAHQAOEQBZLCD-NTXYNSTHSA-N
MW2138.50 g/mol
LogP12.44
Rot. Bonds26

About 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158176172) has the molecular formula C116H140N18O22 and a molecular weight of 2138.50 g/mol. Its IUPAC name is 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158176172
Molecular FormulaC116H140N18O22
Molecular Weight2138.50 g/mol
Exact Mass2137.04
IUPAC Name6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCC(N)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC(NC)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC(O)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCCC(O)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC[C@H](N)C2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C24H30N4O4.2C23H28N4O4.2C23H27N3O5/c1-4-18-21(26-23(30)20(22(18)29)24(31)32)14-5-6-19-15(11-14)12-17(27(19)3)13-28-9-7-16(25-2)8-10-28;1-3-17-20(25-22(29)19(21(17)28)23(30)31)13-4-5-18-14(10-13)11-16(26(18)2)12-27-8-6-15(24)7-9-27;1-3-17-20(25-22(29)19(21(17)28)23(30)31)13-6-7-18-14(9-13)10-16(26(18)2)12-27-8-4-5-15(24)11-27;1-3-17-20(24-22(29)19(21(17)28)23(30)31)13-4-5-18-14(10-13)11-15(25(18)2)12-26-8-6-16(27)7-9-26;1-3-17-20(24-22(29)19(21(17)28)23(30)31)13-6-7-18-14(9-13)10-15(25(18)2)11-26-8-4-5-16(27)12-26/h5-6,11-12,16,25H,4,7-10,13H2,1-3H3,(H,31,32)(H2,26,29,30);4-5,10-11,15H,3,6-9,12,24H2,1-2H3,(H,30,31)(H2,25,28,29);6-7,9-10,15H,3-5,8,11-12,24H2,1-2H3,(H,30,31)(H2,25,28,29);4-5,10-11,16,27H,3,6-9,12H2,1-2H3,(H,30,31)(H2,24,28,29);6-7,9-10,16,27H,3-5,8,11-12H2,1-2H3,(H,30,31)(H2,24,28,29)/t;;15-;;/m..0../s1
InChIKeyFYAHQAOEQBZLCD-NTXYNSTHSA-N
XLogP12.44
TPSA597.33 Ų
H-Bond Donors20
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002138.50
LogP ≤ 512.44
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1030

Analyze 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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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
tert-butyl (3R)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl (3R,4R)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl (4R)-4-hydroxy-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidine-1-carboxylate;tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;3-methyl-6-(trifluoromethyl)-9H-carbazole;(3R)-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-3-ol;(3R,4R)-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-3-ol;(3S,4S)-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-3-ol;(4R)-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
CID 159979302
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
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
15-[[1-(Dimethylamino)propan-2-ylamino]methyl]-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-15-[(3-methoxypyrrolidin-1-yl)methyl]-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-[[(1-methylpiperidin-4-yl)amino]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-4-oxo-15-[[3-(2-oxopropyl)pyrrolidin-1-yl]methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
CID 157550327

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 158176172) is 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN2CCC(N)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC(NC)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC(O)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCCC(O)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCC[C@H](N)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FYAHQAOEQBZLCD-NTXYNSTHSA-N. The full InChI is InChI=1S/C24H30N4O4.2C23H28N4O4.2C23H27N3O5/c1-4-18-21(26-23(30)20(22(18)29)24(31)32)14-5-6-19-15(11-14)12-17(27(19)3)13-28-9-7-16(25-2)8-10-28;1-3-17-20(25-22(29)19(21(17)28)23(30)31)13-4-5-18-14(10-13)11-16(26(18)2)12-27-8-6-15(24)7-9-27;1-3-17-20(25-22(29)19(21(17)28)23(30)31)13-6-7-18-14(9-13)10-16(26(18)2)12-27-8-4-5-15(24)11-27;1-3-17-20(24-22(29)19(21(17)28)23(30)31)13-4-5-18-14(10-13)11-15(25(18)2)12-26-8-6-16(27)7-9-26;1-3-17-20(24-22(29)19(21(17)28)23(30)31)13-6-7-18-14(9-13)10-15(25(18)2)11-26-8-4-5-16(27)12-26/h5-6,11-12,16,25H,4,7-10,13H2,1-3H3,(H,31,32)(H2,26,29,30);4-5,10-11,15H,3,6-9,12,24H2,1-2H3,(H,30,31)(H2,25,28,29);6-7,9-10,15H,3-5,8,11-12,24H2,1-2H3,(H,30,31)(H2,25,28,29);4-5,10-11,16,27H,3,6-9,12H2,1-2H3,(H,30,31)(H2,24,28,29);6-7,9-10,16,27H,3-5,8,11-12H2,1-2H3,(H,30,31)(H2,24,28,29)/t;;15-;;/m..0../s1.
What are the key properties of 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2138.50 g/mol, XLogP of 12.44, 26 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(3S)-3-aminopiperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(4-aminopiperidin-1-yl)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(3-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158176172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).