C161H195BrCl3N11O21Si5 — CID 161163944
(2-amino-5-cyclopropyl-3-pyridinyl)-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-3-carbaldehyde;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanol;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;1,3-dichloropropan-2-one;[3-(hydroxymethyl)oxetan-3-yl]methanol (PubChem CID 161163944) has the molecular formula C161H195BrCl3N11O21Si5 and a molecular weight of 2947.08 g/mol. Its IUPAC name is (2-amino-5-cyclopropyl-3-pyridinyl)-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-3-carbaldehyde;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanol;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;1,3-dichloropropan-2-one;[3-(hydroxymethyl)oxetan-3-yl]methanol.
| Compound Name | (2-amino-5-cyclopropyl-3-pyridinyl)-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-3-carbaldehyde;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanol;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;1,3-dichloropropan-2-one;[3-(hydroxymethyl)oxetan-3-yl]methanol |
|---|---|
| PubChem CID | 161163944 |
| Molecular Formula | C161H195BrCl3N11O21Si5 |
| Molecular Weight | 2947.08 g/mol |
| Exact Mass | 2942.16 |
| IUPAC Name | (2-amino-5-cyclopropyl-3-pyridinyl)-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-3-carbaldehyde;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanol;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;1,3-dichloropropan-2-one;[3-(hydroxymethyl)oxetan-3-yl]methanol |
| SMILES | C#CC(=O)OCc1ccccc1.CC(C)(C)[Si](OCC1(C(O)c2cc(C3CC3)cn3cc(CCl)nc23)COC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC1(C(O)c2cc(C3CC3)cn3cc(CN=[N+]=[N-])nc23)COC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC1(C(O)c2cc(C3CC3)cnc2N)COC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC1(C=O)COC1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC1(CO)COC1)(c1ccccc1)c1ccccc1.Nc1ncc(C2CC2)cc1Br.O=C(CCl)CCl.OCC1(CO)COC1 |
| InChI | InChI=1S/C32H37ClN2O3Si.C32H37N5O3Si.C29H36N2O3Si.C21H28O3Si.C21H26O3Si.C10H8O2.C8H9BrN2.C5H10O3.C3H4Cl2O/c1-31(2,3)39(26-10-6-4-7-11-26,27-12-8-5-9-13-27)38-22-32(20-37-21-32)29(36)28-16-24(23-14-15-23)18-35-19-25(17-33)34-30(28)35;1-31(2,3)41(26-10-6-4-7-11-26,27-12-8-5-9-13-27)40-22-32(20-39-21-32)29(38)28-16-24(23-14-15-23)18-37-19-25(17-34-36-33)35-30(28)37;1-28(2,3)35(23-10-6-4-7-11-23,24-12-8-5-9-13-24)34-20-29(18-33-19-29)26(32)25-16-22(21-14-15-21)17-31-27(25)30;2*1-20(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-17-21(14-22)15-23-16-21;1-2-10(11)12-8-9-6-4-3-5-7-9;9-7-3-6(5-1-2-5)4-11-8(7)10;6-1-5(2-7)3-8-4-5;4-1-3(6)2-5/h4-13,16,18-19,23,29,36H,14-15,17,20-22H2,1-3H3;4-13,16,18-19,23,29,38H,14-15,17,20-22H2,1-3H3;4-13,16-17,21,26,32H,14-15,18-20H2,1-3H3,(H2,30,31);4-13,22H,14-17H2,1-3H3;4-14H,15-17H2,1-3H3;1,3-7H,8H2;3-5H,1-2H2,(H2,10,11);6-7H,1-4H2;1-2H2 |
| InChIKey | UQGWTFXGLHNWGY-UHFFFAOYSA-N |
| XLogP | 24.43 |
| TPSA | 444.53 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2947.08 |
| LogP ≤ 5 | 24.43 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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