tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid

C162H189F6N25O34 — CID 158176642

IUPACtert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)O.COC1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@@H](OC)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@H](OC)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(OC)CCN2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(OC)CCN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CC(OC)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/2C30H29F3N6O4.C24H30N4O4.C24H30N2O7.C19H22N4O2.C12H21NO5.C12H11NO3.C11H17NO5/c2*1-41-18-8-9-22-24(13-18)39(29(37-22)30(31,32)33)16-26(40)38-11-10-19(42-2)14-25(38)27-34-15-23(35-27)20-12-17-6-4-5-7-21(17)36-28(20)43-3;1-24(2,3)32-23(29)28-11-10-16(30-4)13-20(28)21-25-14-19(26-21)17-12-15-8-6-7-9-18(15)27-22(17)31-5;1-24(2,3)33-23(29)26-11-10-16(30-4)13-19(26)22(28)32-14-20(27)17-12-15-8-6-7-9-18(15)25-21(17)31-5;1-24-13-7-8-20-16(10-13)18-21-11-17(22-18)14-9-12-5-3-4-6-15(12)23-19(14)25-2;1-12(2,3)18-11(16)13-6-5-8(17-4)7-9(13)10(14)15;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h2*4-9,12-13,15,19,25H,10-11,14,16H2,1-3H3,(H,34,35);6-9,12,14,16,20H,10-11,13H2,1-5H3,(H,25,26);6-9,12,16,19H,10-11,13-14H2,1-5H3;3-6,9,11,13,16,20H,7-8,10H2,1-2H3,(H,21,22);8-9H,5-7H2,1-4H3,(H,14,15);2-6,14H,7H2,1H3;8H,4-6H2,1-3H3,(H,14,15)/t19-,25+;19-,25-;16?,20-;16?,19-;13?,16-;8?,9-;;8-/m100000.0/s1
InChIKeyFYBSIULDDNNUBF-PKXVYYSPSA-N
MW3144.42 g/mol
LogP25.90
Rot. Bonds34

About tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid

tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid (PubChem CID 158176642) has the molecular formula C162H189F6N25O34 and a molecular weight of 3144.42 g/mol. Its IUPAC name is tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
PubChem CID158176642
Molecular FormulaC162H189F6N25O34
Molecular Weight3144.42 g/mol
Exact Mass3142.37
IUPAC Nametert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)O.COC1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@@H](OC)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@H](OC)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(OC)CCN2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(OC)CCN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CC(OC)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/2C30H29F3N6O4.C24H30N4O4.C24H30N2O7.C19H22N4O2.C12H21NO5.C12H11NO3.C11H17NO5/c2*1-41-18-8-9-22-24(13-18)39(29(37-22)30(31,32)33)16-26(40)38-11-10-19(42-2)14-25(38)27-34-15-23(35-27)20-12-17-6-4-5-7-21(17)36-28(20)43-3;1-24(2,3)32-23(29)28-11-10-16(30-4)13-20(28)21-25-14-19(26-21)17-12-15-8-6-7-9-18(15)27-22(17)31-5;1-24(2,3)33-23(29)26-11-10-16(30-4)13-19(26)22(28)32-14-20(27)17-12-15-8-6-7-9-18(15)25-21(17)31-5;1-24-13-7-8-20-16(10-13)18-21-11-17(22-18)14-9-12-5-3-4-6-15(12)23-19(14)25-2;1-12(2,3)18-11(16)13-6-5-8(17-4)7-9(13)10(14)15;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h2*4-9,12-13,15,19,25H,10-11,14,16H2,1-3H3,(H,34,35);6-9,12,14,16,20H,10-11,13H2,1-5H3,(H,25,26);6-9,12,16,19H,10-11,13-14H2,1-5H3;3-6,9,11,13,16,20H,7-8,10H2,1-2H3,(H,21,22);8-9H,5-7H2,1-4H3,(H,14,15);2-6,14H,7H2,1H3;8H,4-6H2,1-3H3,(H,14,15)/t19-,25+;19-,25-;16?,20-;16?,19-;13?,16-;8?,9-;;8-/m100000.0/s1
InChIKeyFYBSIULDDNNUBF-PKXVYYSPSA-N
XLogP25.90
TPSA700.07 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003144.42
LogP ≤ 525.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-O-benzyl 4-O-tert-butyl 2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;benzyl 2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxylate;benzyl 2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-methoxy-3-[2-[4-(oxolan-3-ylmethyl)piperazin-2-yl]-1H-imidazol-5-yl]quinoline;1-[2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 158454021
1-O-benzyl 4-O-tert-butyl (2S)-2-(N'-hydroxycarbamimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2R)-2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazol-3-yl]piperazine-1,4-dicarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazol-3-yl]-4-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-1-carboxylate;2-methoxyquinoline-3-carboxylic acid;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazol-3-yl]-4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 158704890
acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde
CID 158741207
1-O-benzyl 4-O-tert-butyl 2-carbamoylpiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-isocyanopiperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-(C-methoxycarbonimidoyl)piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl (2S)-2-[3-(2-methoxyquinolin-3-yl)-1H-1,2,4-triazol-5-yl]piperazine-1,4-dicarboxylate;2-methoxyquinoline-3-carbohydrazide;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 158804358
6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 158901876
Benzyl 5-(1-amino-2-methylindolizine-3-carbonyl)-2-[(2,2,2-trifluoroacetyl)amino]benzoate;3-[2-[2-[[2-(3-carboxyphenoxy)acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid;methane;methyl 2-amino-5-(1-aminoimidazo[1,5-a]pyridine-3-carbonyl)benzoate;methyl 2-amino-5-[1-[[3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoyl]amino]imidazo[1,5-a]pyridine-3-carbonyl]benzoate;3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid
CID 159240990
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
potassium;1-O-benzyl 4-O-tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1,4-dicarboxylate;1-O-benzyl 4-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-piperazine-1,2,4-tricarboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-(2-methylbenzimidazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl (3S)-3-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazine-1-carboxylate;cyclohexa-1,4-diene;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone;(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid;oxolane-3-carbaldehyde;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 159829829
benzyl N-[(2S,4R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperidin-4-yl]carbamate;benzyl N-[(2S,4S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperidin-4-yl]carbamate;benzyl N-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-4-yl]carbamate;1-[(2S,4R)-4-(dimethylamino)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-(dimethylamino)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 160160495
CID 160848607
CID 160848607
(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;3-methyl-7-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]quinazolin-4-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161686074
4-O-benzyl 1-O-tert-butyl 5-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-diazepane-1,4-dicarboxylate;tert-butyl 5-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 5-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetyl]-1,4-diazepane-1-carboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1,4-diazepan-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonyl-1,4-diazepane-5-carboxylic acid
CID 161880189

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid?
The IUPAC name of tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid (CID 158176642) is tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid?
The canonical SMILES for tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)O.COC1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@@H](OC)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@H](OC)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(OC)CCN2)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC(OC)CCN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CC(OC)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid?
The InChIKey is FYBSIULDDNNUBF-PKXVYYSPSA-N. The full InChI is InChI=1S/2C30H29F3N6O4.C24H30N4O4.C24H30N2O7.C19H22N4O2.C12H21NO5.C12H11NO3.C11H17NO5/c2*1-41-18-8-9-22-24(13-18)39(29(37-22)30(31,32)33)16-26(40)38-11-10-19(42-2)14-25(38)27-34-15-23(35-27)20-12-17-6-4-5-7-21(17)36-28(20)43-3;1-24(2,3)32-23(29)28-11-10-16(30-4)13-20(28)21-25-14-19(26-21)17-12-15-8-6-7-9-18(15)27-22(17)31-5;1-24(2,3)33-23(29)26-11-10-16(30-4)13-19(26)22(28)32-14-20(27)17-12-15-8-6-7-9-18(15)25-21(17)31-5;1-24-13-7-8-20-16(10-13)18-21-11-17(22-18)14-9-12-5-3-4-6-15(12)23-19(14)25-2;1-12(2,3)18-11(16)13-6-5-8(17-4)7-9(13)10(14)15;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h2*4-9,12-13,15,19,25H,10-11,14,16H2,1-3H3,(H,34,35);6-9,12,14,16,20H,10-11,13H2,1-5H3,(H,25,26);6-9,12,16,19H,10-11,13-14H2,1-5H3;3-6,9,11,13,16,20H,7-8,10H2,1-2H3,(H,21,22);8-9H,5-7H2,1-4H3,(H,14,15);2-6,14H,7H2,1H3;8H,4-6H2,1-3H3,(H,14,15)/t19-,25+;19-,25-;16?,20-;16?,19-;13?,16-;8?,9-;;8-/m100000.0/s1.
What are the key properties of tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid?
tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid has a molecular weight of 3144.42 g/mol, XLogP of 25.90, 34 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-4-methoxypiperidine-1,2-dicarboxylate;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;2-methoxy-3-[2-[(2S)-4-methoxypiperidin-2-yl]-1H-imidazol-5-yl]quinoline;1-[(2S,4R)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,4S)-4-methoxy-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;(2S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 158176642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).