(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
C157H170N34O11 — CID 159811674
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)c1cnc[nH]1.CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1Cc1cnc[nH]1.[C-]#[N+]c1ccc(Cn2cncc2C(=O)N2CCn3cc(-c4ccccc4OC)nc3[C@@H]2C(C)CC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3[C@@H]2C(C)CC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3C(CCCC)C2)cc1
InChIInChI=1S/2C30H32N6O2.C29H30N6O2.C26H24N6O2.C21H25N5O2.C21H27N5O/c1-5-21(2)29-30-33-26(25-8-6-7-9-27(25)38-4)19-34(30)14-15-36(29)28(37)16-24-17-32-20-35(24)18-22-10-12-23(31-3)13-11-22;1-4-5-8-24-18-34(20-29-33-27(19-36(24)29)26-9-6-7-10-28(26)38-3)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-5-20(2)27-28-32-24(23-8-6-7-9-26(23)37-4)18-33(28)14-15-35(27)29(36)25-16-31-19-34(25)17-21-10-12-22(30-3)13-11-21;1-27-20-9-7-19(8-10-20)15-32-18-28-14-21(32)13-26(33)31-12-11-30-16-23(29-25(30)17-31)22-5-3-4-6-24(22)34-2;1-4-14(2)19-20-24-17(15-7-5-6-8-18(15)28-3)12-25(20)9-10-26(19)21(27)16-11-22-13-23-16;1-4-15(2)20-21-24-18(17-7-5-6-8-19(17)27-3)13-26(21)10-9-25(20)12-16-11-22-14-23-16/h6-13,17,19-21,29H,5,14-16,18H2,1-2,4H3;6-7,9-14,16,19,21,24H,4-5,8,15,17-18,20H2,1,3H3;6-13,16,18-20,27H,5,14-15,17H2,1-2,4H3;3-10,14,16,18H,11-13,15,17H2,2H3;5-8,11-14,19H,4,9-10H2,1-3H3,(H,22,23);5-8,11,13-15,20H,4,9-10,12H2,1-3H3,(H,22,23)/t21?,29-;;20?,27-;;14?,19-;15?,20-/m0.0.00/s1
InChIKeyNLCIYPBAKHPDTB-KBZCOQINSA-N
MW2709.31 g/mol
LogP28.14
Rot. Bonds41
About (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 159811674) has the molecular formula C157H170N34O11 and a molecular weight of 2709.31 g/mol. Its IUPAC name is (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
Molecular Properties
| Compound Name | (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone |
|---|---|
| PubChem CID | 159811674 |
| Molecular Formula | C157H170N34O11 |
| Molecular Weight | 2709.31 g/mol |
| Exact Mass | 2707.38 |
| IUPAC Name | (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone |
| SMILES | CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)c1cnc[nH]1.CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1Cc1cnc[nH]1.[C-]#[N+]c1ccc(Cn2cncc2C(=O)N2CCn3cc(-c4ccccc4OC)nc3[C@@H]2C(C)CC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3[C@@H]2C(C)CC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3C(CCCC)C2)cc1 |
| InChI | InChI=1S/2C30H32N6O2.C29H30N6O2.C26H24N6O2.C21H25N5O2.C21H27N5O/c1-5-21(2)29-30-33-26(25-8-6-7-9-27(25)38-4)19-34(30)14-15-36(29)28(37)16-24-17-32-20-35(24)18-22-10-12-23(31-3)13-11-22;1-4-5-8-24-18-34(20-29-33-27(19-36(24)29)26-9-6-7-10-28(26)38-3)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-5-20(2)27-28-32-24(23-8-6-7-9-26(23)37-4)18-33(28)14-15-35(27)29(36)25-16-31-19-34(25)17-21-10-12-22(30-3)13-11-21;1-27-20-9-7-19(8-10-20)15-32-18-28-14-21(32)13-26(33)31-12-11-30-16-23(29-25(30)17-31)22-5-3-4-6-24(22)34-2;1-4-14(2)19-20-24-17(15-7-5-6-8-18(15)28-3)12-25(20)9-10-26(19)21(27)16-11-22-13-23-16;1-4-15(2)20-21-24-18(17-7-5-6-8-19(17)27-3)13-26(21)10-9-25(20)12-16-11-22-14-23-16/h6-13,17,19-21,29H,5,14-16,18H2,1-2,4H3;6-7,9-14,16,19,21,24H,4-5,8,15,17-18,20H2,1,3H3;6-13,16,18-20,27H,5,14-15,17H2,1-2,4H3;3-10,14,16,18H,11-13,15,17H2,2H3;5-8,11-14,19H,4,9-10H2,1-3H3,(H,22,23);5-8,11,13-15,20H,4,9-10,12H2,1-3H3,(H,22,23)/t21?,29-;;20?,27-;;14?,19-;15?,20-/m0.0.00/s1 |
| InChIKey | NLCIYPBAKHPDTB-KBZCOQINSA-N |
| XLogP | 28.14 |
| TPSA | 413.17 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 202 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2709.31 |
| LogP ≤ 5 | 28.14 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 34 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 159811674) is (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)c1cnc[nH]1.CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1Cc1cnc[nH]1.[C-]#[N+]c1ccc(Cn2cncc2C(=O)N2CCn3cc(-c4ccccc4OC)nc3[C@@H]2C(C)CC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3C2)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2CCn3cc(-c4ccccc4OC)nc3[C@@H]2C(C)CC)cc1.[C-]#[N+]c1ccc(Cn2cncc2CC(=O)N2Cc3nc(-c4ccccc4OC)cn3C(CCCC)C2)cc1.
What is the InChIKey of (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is NLCIYPBAKHPDTB-KBZCOQINSA-N. The full InChI is InChI=1S/2C30H32N6O2.C29H30N6O2.C26H24N6O2.C21H25N5O2.C21H27N5O/c1-5-21(2)29-30-33-26(25-8-6-7-9-27(25)38-4)19-34(30)14-15-36(29)28(37)16-24-17-32-20-35(24)18-22-10-12-23(31-3)13-11-22;1-4-5-8-24-18-34(20-29-33-27(19-36(24)29)26-9-6-7-10-28(26)38-3)30(37)15-25-16-32-21-35(25)17-22-11-13-23(31-2)14-12-22;1-5-20(2)27-28-32-24(23-8-6-7-9-26(23)37-4)18-33(28)14-15-35(27)29(36)25-16-31-19-34(25)17-21-10-12-22(30-3)13-11-21;1-27-20-9-7-19(8-10-20)15-32-18-28-14-21(32)13-26(33)31-12-11-30-16-23(29-25(30)17-31)22-5-3-4-6-24(22)34-2;1-4-14(2)19-20-24-17(15-7-5-6-8-18(15)28-3)12-25(20)9-10-26(19)21(27)16-11-22-13-23-16;1-4-15(2)20-21-24-18(17-7-5-6-8-19(17)27-3)13-26(21)10-9-25(20)12-16-11-22-14-23-16/h6-13,17,19-21,29H,5,14-16,18H2,1-2,4H3;6-7,9-14,16,19,21,24H,4-5,8,15,17-18,20H2,1,3H3;6-13,16,18-20,27H,5,14-15,17H2,1-2,4H3;3-10,14,16,18H,11-13,15,17H2,2H3;5-8,11-14,19H,4,9-10H2,1-3H3,(H,22,23);5-8,11,13-15,20H,4,9-10,12H2,1-3H3,(H,22,23)/t21?,29-;;20?,27-;;14?,19-;15?,20-/m0.0.00/s1.
What are the key properties of (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
(8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 2709.31 g/mol, XLogP of 28.14, 41 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-butan-2-yl-7-(1H-imidazol-5-ylmethyl)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-imidazol-5-yl)methanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanone;1-[5-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethanone;2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]-1-[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 159811674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159811674 — identifiers, structure, computed properties (public domain)
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