2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde
C142H147BrClF8N29O24 — CID 159423506
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde
SMILESC.CC(C)(C)OC(=O)N1CCNC(=O)C1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2n1.O=CC(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)OC(C)(C)C)nc5n4C[C@@H]4CCO4)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCNCC3=O)n2)c(F)c1
InChIInChI=1S/C33H34FN7O5.C29H26FN7O5.C22H23FN4O4.C17H15FN4O2.C16H20ClN3O3.C13H8BrFN2O.C9H16N2O3.C2HF3O.CH4/c1-33(2,3)46-32(43)26-11-10-25-31(37-26)41(17-23-12-15-44-23)28(36-25)18-39-13-14-40(30(42)19-39)27-6-5-7-29(38-27)45-20-21-8-9-22(35-4)16-24(21)34;1-31-19-6-5-18(21(30)13-19)17-42-26-4-2-3-24(34-26)36-11-10-35(16-27(36)38)15-25-32-22-7-8-23(29(39)40)33-28(22)37(25)14-20-9-12-41-20;1-22(2,3)31-21(29)26-10-11-27(20(28)13-26)18-6-5-7-19(25-18)30-14-15-8-9-16(24-4)12-17(15)23;1-19-13-6-5-12(14(18)9-13)11-24-16-4-2-3-15(21-16)22-8-7-20-10-17(22)23;1-16(2,3)23-15(21)12-5-4-11-14(19-12)20(13(8-17)18-11)9-10-6-7-22-10;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;3-2(4,5)1-6;/h5-11,16,23H,12-15,17-20H2,1-3H3;2-8,13,20H,9-12,14-17H2,(H,39,40);5-9,12H,10-11,13-14H2,1-3H3;2-6,9,20H,7-8,10-11H2;4-5,10H,6-9H2,1-3H3;2-7H,8H2;4-6H2,1-3H3,(H,10,12);1H;1H4/t23-;20-;;;10-;;;;/m00..0..../s1
InChIKeyLQBDRTYTVRJPKI-KVVULSINSA-N
MW2911.26 g/mol
LogP23.10
Rot. Bonds33
About 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 159423506) has the molecular formula C142H147BrClF8N29O24 and a molecular weight of 2911.26 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde.
Molecular Properties
| Compound Name | 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde |
|---|---|
| PubChem CID | 159423506 |
| Molecular Formula | C142H147BrClF8N29O24 |
| Molecular Weight | 2911.26 g/mol |
| Exact Mass | 2907.99 |
| IUPAC Name | 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde |
| SMILES | C.CC(C)(C)OC(=O)N1CCNC(=O)C1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2n1.O=CC(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)OC(C)(C)C)nc5n4C[C@@H]4CCO4)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCNCC3=O)n2)c(F)c1 |
| InChI | InChI=1S/C33H34FN7O5.C29H26FN7O5.C22H23FN4O4.C17H15FN4O2.C16H20ClN3O3.C13H8BrFN2O.C9H16N2O3.C2HF3O.CH4/c1-33(2,3)46-32(43)26-11-10-25-31(37-26)41(17-23-12-15-44-23)28(36-25)18-39-13-14-40(30(42)19-39)27-6-5-7-29(38-27)45-20-21-8-9-22(35-4)16-24(21)34;1-31-19-6-5-18(21(30)13-19)17-42-26-4-2-3-24(34-26)36-11-10-35(16-27(36)38)15-25-32-22-7-8-23(29(39)40)33-28(22)37(25)14-20-9-12-41-20;1-22(2,3)31-21(29)26-10-11-27(20(28)13-26)18-6-5-7-19(25-18)30-14-15-8-9-16(24-4)12-17(15)23;1-19-13-6-5-12(14(18)9-13)11-24-16-4-2-3-15(21-16)22-8-7-20-10-17(22)23;1-16(2,3)23-15(21)12-5-4-11-14(19-12)20(13(8-17)18-11)9-10-6-7-22-10;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;3-2(4,5)1-6;/h5-11,16,23H,12-15,17-20H2,1-3H3;2-8,13,20H,9-12,14-17H2,(H,39,40);5-9,12H,10-11,13-14H2,1-3H3;2-6,9,20H,7-8,10-11H2;4-5,10H,6-9H2,1-3H3;2-7H,8H2;4-6H2,1-3H3,(H,10,12);1H;1H4/t23-;20-;;;10-;;;;/m00..0..../s1 |
| InChIKey | LQBDRTYTVRJPKI-KVVULSINSA-N |
| XLogP | 23.10 |
| TPSA | 547.12 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 205 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.26 |
| LogP ≤ 5 | 23.10 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 40 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde (CID 159423506) is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde is C.CC(C)(C)OC(=O)N1CCNC(=O)C1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2n1.O=CC(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)O)nc5n4C[C@@H]4CCO4)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCN(Cc4nc5ccc(C(=O)OC(C)(C)C)nc5n4C[C@@H]4CCO4)CC3=O)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(N3CCNCC3=O)n2)c(F)c1.
What is the InChIKey of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde?
The InChIKey is LQBDRTYTVRJPKI-KVVULSINSA-N. The full InChI is InChI=1S/C33H34FN7O5.C29H26FN7O5.C22H23FN4O4.C17H15FN4O2.C16H20ClN3O3.C13H8BrFN2O.C9H16N2O3.C2HF3O.CH4/c1-33(2,3)46-32(43)26-11-10-25-31(37-26)41(17-23-12-15-44-23)28(36-25)18-39-13-14-40(30(42)19-39)27-6-5-7-29(38-27)45-20-21-8-9-22(35-4)16-24(21)34;1-31-19-6-5-18(21(30)13-19)17-42-26-4-2-3-24(34-26)36-11-10-35(16-27(36)38)15-25-32-22-7-8-23(29(39)40)33-28(22)37(25)14-20-9-12-41-20;1-22(2,3)31-21(29)26-10-11-27(20(28)13-26)18-6-5-7-19(25-18)30-14-15-8-9-16(24-4)12-17(15)23;1-19-13-6-5-12(14(18)9-13)11-24-16-4-2-3-15(21-16)22-8-7-20-10-17(22)23;1-16(2,3)23-15(21)12-5-4-11-14(19-12)20(13(8-17)18-11)9-10-6-7-22-10;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;3-2(4,5)1-6;/h5-11,16,23H,12-15,17-20H2,1-3H3;2-8,13,20H,9-12,14-17H2,(H,39,40);5-9,12H,10-11,13-14H2,1-3H3;2-6,9,20H,7-8,10-11H2;4-5,10H,6-9H2,1-3H3;2-7H,8H2;4-6H2,1-3H3,(H,10,12);1H;1H4/t23-;20-;;;10-;;;;/m00..0..../s1.
What are the key properties of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde?
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 2911.26 g/mol, XLogP of 23.10, 33 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazine-1-carboxylate;tert-butyl 2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-oxopiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid;1-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]piperazin-2-one;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159423506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159423506 — identifiers, structure, computed properties (public domain)
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