acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde

C154H198ClF3N28O31Si2 — CID 162259659

IUPACacetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
SMILESC.C=CC[C@@]1(c2nc(-c3cccnc3OC)cn2COCC[Si](C)(C)C)CCCC(=O)N1.C=CC[C@@]1(c2ncc(-c3cccnc3OC)[nH]2)CCCC(=O)N1.C=CC[C@]1(C(=O)O)CCCC(=O)N1.C=CC[C@]1(C(=O)OCC(=O)c2cccnc2OC)CCCC(=O)N1.CC(=O)O.COc1ncccc1-c1cn(COCC[Si](C)(C)C)c([C@]2(C/C=C/CCC(=O)c3ccon3)CCCC(=O)N2)n1.COc1ncccc1-c1cnc([C@]2(C/C=C/CCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.COc1ncccc1-c1cnc([C@]2(CCCCCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.COc1ncccc1C(=O)CCl.N.O=CC(F)(F)F
InChIInChI=1S/C29H39N5O5Si.C23H27N5O4.C23H25N5O4.C23H34N4O3Si.C17H20N4O2.C17H20N2O5.C9H13NO3.C8H8ClNO2.C2HF3O.C2H4O2.CH4.H3N/c1-37-27-22(10-9-16-30-27)24-20-34(21-38-18-19-40(2,3)4)28(31-24)29(15-8-12-26(36)32-29)14-7-5-6-11-25(35)23-13-17-39-33-23;2*1-31-21-16(7-6-13-24-21)18-15-25-22(26-18)23(12-5-9-20(30)27-23)11-4-2-3-8-19(29)17-10-14-32-28-17;1-6-11-23(12-7-10-20(28)26-23)22-25-19(18-9-8-13-24-21(18)29-2)16-27(22)17-30-14-15-31(3,4)5;1-3-8-17(9-4-7-14(22)21-17)16-19-11-13(20-16)12-6-5-10-18-15(12)23-2;1-3-8-17(9-4-7-14(21)19-17)16(22)24-11-13(20)12-6-5-10-18-15(12)23-2;1-2-5-9(8(12)13)6-3-4-7(11)10-9;1-12-8-6(7(11)5-9)3-2-4-10-8;3-2(4,5)1-6;1-2(3)4;;/h5,7,9-10,13,16-17,20H,6,8,11-12,14-15,18-19,21H2,1-4H3,(H,32,36);6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,25,26)(H,27,30);2,4,6-7,10,13-15H,3,5,8-9,11-12H2,1H3,(H,25,26)(H,27,30);6,8-9,13,16H,1,7,10-12,14-15,17H2,2-5H3,(H,26,28);3,5-6,10-11H,1,4,7-9H2,2H3,(H,19,20)(H,21,22);3,5-6,10H,1,4,7-9,11H2,2H3,(H,19,21);2H,1,3-6H2,(H,10,11)(H,12,13);2-4H,5H2,1H3;1H;1H3,(H,3,4);1H4;1H3/b7-5+;;4-2+;;;;;;;;;/t29-;3*23-;2*17-;9-;;;;;/m0000011...../s1
InChIKeyVYWPAJRQBDNVJY-VURCSUKHSA-N
MW3086.06 g/mol
LogP24.88
Rot. Bonds61

About acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde

acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 162259659) has the molecular formula C154H198ClF3N28O31Si2 and a molecular weight of 3086.06 g/mol. Its IUPAC name is acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Nameacetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
PubChem CID162259659
Molecular FormulaC154H198ClF3N28O31Si2
Molecular Weight3086.06 g/mol
Exact Mass3083.40
IUPAC Nameacetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
SMILESC.C=CC[C@@]1(c2nc(-c3cccnc3OC)cn2COCC[Si](C)(C)C)CCCC(=O)N1.C=CC[C@@]1(c2ncc(-c3cccnc3OC)[nH]2)CCCC(=O)N1.C=CC[C@]1(C(=O)O)CCCC(=O)N1.C=CC[C@]1(C(=O)OCC(=O)c2cccnc2OC)CCCC(=O)N1.CC(=O)O.COc1ncccc1-c1cn(COCC[Si](C)(C)C)c([C@]2(C/C=C/CCC(=O)c3ccon3)CCCC(=O)N2)n1.COc1ncccc1-c1cnc([C@]2(C/C=C/CCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.COc1ncccc1-c1cnc([C@]2(CCCCCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.COc1ncccc1C(=O)CCl.N.O=CC(F)(F)F
InChIInChI=1S/C29H39N5O5Si.C23H27N5O4.C23H25N5O4.C23H34N4O3Si.C17H20N4O2.C17H20N2O5.C9H13NO3.C8H8ClNO2.C2HF3O.C2H4O2.CH4.H3N/c1-37-27-22(10-9-16-30-27)24-20-34(21-38-18-19-40(2,3)4)28(31-24)29(15-8-12-26(36)32-29)14-7-5-6-11-25(35)23-13-17-39-33-23;2*1-31-21-16(7-6-13-24-21)18-15-25-22(26-18)23(12-5-9-20(30)27-23)11-4-2-3-8-19(29)17-10-14-32-28-17;1-6-11-23(12-7-10-20(28)26-23)22-25-19(18-9-8-13-24-21(18)29-2)16-27(22)17-30-14-15-31(3,4)5;1-3-8-17(9-4-7-14(22)21-17)16-19-11-13(20-16)12-6-5-10-18-15(12)23-2;1-3-8-17(9-4-7-14(21)19-17)16(22)24-11-13(20)12-6-5-10-18-15(12)23-2;1-2-5-9(8(12)13)6-3-4-7(11)10-9;1-12-8-6(7(11)5-9)3-2-4-10-8;3-2(4,5)1-6;1-2(3)4;;/h5,7,9-10,13,16-17,20H,6,8,11-12,14-15,18-19,21H2,1-4H3,(H,32,36);6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,25,26)(H,27,30);2,4,6-7,10,13-15H,3,5,8-9,11-12H2,1H3,(H,25,26)(H,27,30);6,8-9,13,16H,1,7,10-12,14-15,17H2,2-5H3,(H,26,28);3,5-6,10-11H,1,4,7-9H2,2H3,(H,19,20)(H,21,22);3,5-6,10H,1,4,7-9,11H2,2H3,(H,19,21);2H,1,3-6H2,(H,10,11)(H,12,13);2-4H,5H2,1H3;1H;1H3,(H,3,4);1H4;1H3/b7-5+;;4-2+;;;;;;;;;/t29-;3*23-;2*17-;9-;;;;;/m0000011...../s1
InChIKeyVYWPAJRQBDNVJY-VURCSUKHSA-N
XLogP24.88
TPSA815.09 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds61
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.06
LogP ≤ 524.88
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde with MolForge

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Launch Full Analysis

Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The IUPAC name of acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde (CID 162259659) is acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde is C.C=CC[C@@]1(c2nc(-c3cccnc3OC)cn2COCC[Si](C)(C)C)CCCC(=O)N1.C=CC[C@@]1(c2ncc(-c3cccnc3OC)[nH]2)CCCC(=O)N1.C=CC[C@]1(C(=O)O)CCCC(=O)N1.C=CC[C@]1(C(=O)OCC(=O)c2cccnc2OC)CCCC(=O)N1.CC(=O)O.COc1ncccc1-c1cn(COCC[Si](C)(C)C)c([C@]2(C/C=C/CCC(=O)c3ccon3)CCCC(=O)N2)n1.COc1ncccc1-c1cnc([C@]2(C/C=C/CCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.COc1ncccc1-c1cnc([C@]2(CCCCCC(=O)c3ccon3)CCCC(=O)N2)[nH]1.COc1ncccc1C(=O)CCl.N.O=CC(F)(F)F.
What is the InChIKey of acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
The InChIKey is VYWPAJRQBDNVJY-VURCSUKHSA-N. The full InChI is InChI=1S/C29H39N5O5Si.C23H27N5O4.C23H25N5O4.C23H34N4O3Si.C17H20N4O2.C17H20N2O5.C9H13NO3.C8H8ClNO2.C2HF3O.C2H4O2.CH4.H3N/c1-37-27-22(10-9-16-30-27)24-20-34(21-38-18-19-40(2,3)4)28(31-24)29(15-8-12-26(36)32-29)14-7-5-6-11-25(35)23-13-17-39-33-23;2*1-31-21-16(7-6-13-24-21)18-15-25-22(26-18)23(12-5-9-20(30)27-23)11-4-2-3-8-19(29)17-10-14-32-28-17;1-6-11-23(12-7-10-20(28)26-23)22-25-19(18-9-8-13-24-21(18)29-2)16-27(22)17-30-14-15-31(3,4)5;1-3-8-17(9-4-7-14(22)21-17)16-19-11-13(20-16)12-6-5-10-18-15(12)23-2;1-3-8-17(9-4-7-14(21)19-17)16(22)24-11-13(20)12-6-5-10-18-15(12)23-2;1-2-5-9(8(12)13)6-3-4-7(11)10-9;1-12-8-6(7(11)5-9)3-2-4-10-8;3-2(4,5)1-6;1-2(3)4;;/h5,7,9-10,13,16-17,20H,6,8,11-12,14-15,18-19,21H2,1-4H3,(H,32,36);6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,25,26)(H,27,30);2,4,6-7,10,13-15H,3,5,8-9,11-12H2,1H3,(H,25,26)(H,27,30);6,8-9,13,16H,1,7,10-12,14-15,17H2,2-5H3,(H,26,28);3,5-6,10-11H,1,4,7-9H2,2H3,(H,19,20)(H,21,22);3,5-6,10H,1,4,7-9,11H2,2H3,(H,19,21);2H,1,3-6H2,(H,10,11)(H,12,13);2-4H,5H2,1H3;1H;1H3,(H,3,4);1H4;1H3/b7-5+;;4-2+;;;;;;;;;/t29-;3*23-;2*17-;9-;;;;;/m0000011...../s1.
What are the key properties of acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde?
acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 3086.06 g/mol, XLogP of 24.88, 61 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;2-chloro-1-(2-methoxy-3-pyridinyl)ethanone;methane;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6S)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-[6-(1,2-oxazol-3-yl)-6-oxohexyl]piperidin-2-one;(6R)-6-[5-(2-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;[2-(2-methoxy-3-pyridinyl)-2-oxoethyl] (2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylate;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-[(E)-6-(1,2-oxazol-3-yl)-6-oxohex-2-enyl]piperidin-2-one;(6R)-6-[4-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-prop-2-enylpiperidin-2-one;(2S)-6-oxo-2-prop-2-enylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 162259659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).