C194H218N28O31 — CID 157178730
tert-butyl N-[4-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]phenyl]carbamate;tert-butyl N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]carbamate;tert-butyl 3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate;2-[4-[[3-[4-[2-(4-ethylphenyl)ethyl]phenyl]cyclohexyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-6-methoxy-7H-imidazo[1,2-b]pyrazole;N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide;6-methoxy-2-[6-methoxy-4-[[3-(4-methylphenyl)cyclohexyl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole (PubChem CID 157178730) has the molecular formula C194H218N28O31 and a molecular weight of 3438.04 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]phenyl]carbamate;tert-butyl N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]carbamate;tert-butyl 3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate;2-[4-[[3-[4-[2-(4-ethylphenyl)ethyl]phenyl]cyclohexyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-6-methoxy-7H-imidazo[1,2-b]pyrazole;N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide;6-methoxy-2-[6-methoxy-4-[[3-(4-methylphenyl)cyclohexyl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole.
| Compound Name | tert-butyl N-[4-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]phenyl]carbamate;tert-butyl N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]carbamate;tert-butyl 3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate;2-[4-[[3-[4-[2-(4-ethylphenyl)ethyl]phenyl]cyclohexyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-6-methoxy-7H-imidazo[1,2-b]pyrazole;N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide;6-methoxy-2-[6-methoxy-4-[[3-(4-methylphenyl)cyclohexyl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole |
|---|---|
| PubChem CID | 157178730 |
| Molecular Formula | C194H218N28O31 |
| Molecular Weight | 3438.04 g/mol |
| Exact Mass | 3435.63 |
| IUPAC Name | tert-butyl N-[4-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]phenyl]carbamate;tert-butyl N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]carbamate;tert-butyl 3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate;2-[4-[[3-[4-[2-(4-ethylphenyl)ethyl]phenyl]cyclohexyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-6-methoxy-7H-imidazo[1,2-b]pyrazole;N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide;6-methoxy-2-[6-methoxy-4-[[3-(4-methylphenyl)cyclohexyl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole |
| SMILES | CCc1ccc(CCc2ccc(C3CCCC(COc4cc(OC)cc5oc(-c6cn7c(n6)CC(OC)=N7)cc45)C3)cc2)cc1.COC1=Nn2cc(-c3cc4c(OCC5CCCC(c6ccc(C)cc6)C5)cc(OC)cc4o3)nc2C1.COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(NC(=O)C(C)(C)C)nc6)C5)cc(OC)cc4o3)nc2C1.COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(NC(=O)OC(C)(C)C)cc6)C5)cc(OC)cc4o3)nc2C1.COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(NC(=O)OC(C)(C)C)nc6)C5)cc(OC)cc4o3)nc2C1.COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2COc2cc(OC)cc3oc(-c4cn5nc(C)ccc5n4)cc23)cc1 |
| InChI | InChI=1S/C38H41N3O4.C33H37N5O6.C32H37N5O6.C31H36N6O6.C31H36N6O5.C29H31N3O4/c1-4-25-8-10-26(11-9-25)12-13-27-14-16-29(17-15-27)30-7-5-6-28(18-30)24-44-34-19-31(42-2)20-35-32(34)21-36(45-35)33-23-41-37(39-33)22-38(40-41)43-3;1-21-7-12-31-34-27(19-38(31)35-21)30-17-26-28(15-25(41-6)16-29(26)43-30)42-20-23-18-36(32(39)44-33(2,3)4)13-14-37(23)22-8-10-24(40-5)11-9-22;1-32(2,3)43-31(38)33-21-8-10-22(11-9-21)36-12-6-7-20(17-36)19-41-26-13-23(39-4)14-27-24(26)15-28(42-27)25-18-37-29(34-25)16-30(35-37)40-5;1-31(2,3)43-30(38)34-27-9-8-20(15-32-27)36-10-6-7-19(16-36)18-41-24-11-21(39-4)12-25-22(24)13-26(42-25)23-17-37-28(33-23)14-29(35-37)40-5;1-31(2,3)30(38)34-27-9-8-20(15-32-27)36-10-6-7-19(16-36)18-41-24-11-21(39-4)12-25-22(24)13-26(42-25)23-17-37-28(33-23)14-29(35-37)40-5;1-18-7-9-20(10-8-18)21-6-4-5-19(11-21)17-35-25-12-22(33-2)13-26-23(25)14-27(36-26)24-16-32-28(30-24)15-29(31-32)34-3/h8-11,14-17,19-21,23,28,30H,4-7,12-13,18,22,24H2,1-3H3;7-12,15-17,19,23H,13-14,18,20H2,1-6H3;8-11,13-15,18,20H,6-7,12,16-17,19H2,1-5H3,(H,33,38);8-9,11-13,15,17,19H,6-7,10,14,16,18H2,1-5H3,(H,32,34,38);8-9,11-13,15,17,19H,6-7,10,14,16,18H2,1-5H3,(H,32,34,38);7-10,12-14,16,19,21H,4-6,11,15,17H2,1-3H3 |
| InChIKey | AOICTGZMMLSJOR-UHFFFAOYSA-N |
| XLogP | 38.03 |
| TPSA | 600.11 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 253 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3438.04 |
| LogP ≤ 5 | 38.03 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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