C182H208Cl3N31O22Si5 — CID 163492283
azane;4-chloro-6-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;4-chloropyrimidin-2-amine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 163492283) has the molecular formula C182H208Cl3N31O22Si5 and a molecular weight of 3428.65 g/mol. Its IUPAC name is azane;4-chloro-6-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;4-chloropyrimidin-2-amine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide.
| Compound Name | azane;4-chloro-6-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;4-chloropyrimidin-2-amine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide |
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| PubChem CID | 163492283 |
| Molecular Formula | C182H208Cl3N31O22Si5 |
| Molecular Weight | 3428.65 g/mol |
| Exact Mass | 3424.40 |
| IUPAC Name | azane;4-chloro-6-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;4-chloropyrimidin-2-amine;cyclopropanecarbonyl chloride;N-(cyclopropanecarbonyl)-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide;3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide |
| SMILES | C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(O)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3cc(Cl)nc(N)n3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(N(C(=O)C4CC4)C(=O)C4CC4)n3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(N)n3)cc2C1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)n3)cc2C1.N.Nc1nccc(Cl)n1.O=C(Cl)C1CC1.O=C(Nc1nccc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)n1)C1CC1 |
| InChI | InChI=1S/C36H41N5O5Si.C32H37N5O4Si.C28H32ClN5O3Si.C28H33N5O3Si.C26H23N5O3.C24H30N2O3Si.C4H4ClN3.C4H5ClO.H3N/c1-47(2,3)18-17-44-23-40-21-30(24-7-5-4-6-8-24)38-33(40)28-19-27-20-29(13-14-31(27)45-22-28)46-32-15-16-37-36(39-32)41(34(42)25-9-10-25)35(43)26-11-12-26;1-42(2,3)16-15-39-21-37-19-27(22-7-5-4-6-8-22)34-30(37)25-17-24-18-26(11-12-28(24)40-20-25)41-29-13-14-33-32(35-29)36-31(38)23-9-10-23;1-38(2,3)12-11-35-18-34-16-23(19-7-5-4-6-8-19)31-27(34)21-13-20-14-22(9-10-24(20)36-17-21)37-26-15-25(29)32-28(30)33-26;1-37(2,3)14-13-34-19-33-17-24(20-7-5-4-6-8-20)31-27(33)22-15-21-16-23(9-10-25(21)35-18-22)36-26-11-12-30-28(29)32-26;32-25(17-6-7-17)31-26-27-11-10-23(30-26)34-20-8-9-22-18(13-20)12-19(15-33-22)24-28-14-21(29-24)16-4-2-1-3-5-16;1-30(2,3)12-11-28-17-26-15-22(18-7-5-4-6-8-18)25-24(26)20-13-19-14-21(27)9-10-23(19)29-16-20;5-3-1-2-7-4(6)8-3;5-4(6)3-1-2-3;/h4-8,13-16,20-21,25-26,28H,9-12,17-19,22-23H2,1-3H3;4-8,11-14,18-19,23,25H,9-10,15-17,20-21H2,1-3H3,(H,33,35,36,38);4-10,14-16,21H,11-13,17-18H2,1-3H3,(H2,30,32,33);4-12,16-17,22H,13-15,18-19H2,1-3H3,(H2,29,30,32);1-5,8-11,13-14,17,19H,6-7,12,15H2,(H,28,29)(H,27,30,31,32);4-10,14-15,20,27H,11-13,16-17H2,1-3H3;1-2H,(H2,6,7,8);3H,1-2H2;1H3 |
| InChIKey | ICEVKQVQIQEMMO-UHFFFAOYSA-N |
| XLogP | 37.55 |
| TPSA | 666.08 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 243 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3428.65 |
| LogP ≤ 5 | 37.55 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 49 |
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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