1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one
C152H177N29O9S6 — CID 158039978
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one
1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 158039978) has the molecular formula C152H177N29O9S6 and a molecular weight of 2746.68 g/mol. Its IUPAC name is 1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one.
Molecular Properties
| Compound Name | 1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one |
|---|---|
| PubChem CID | 158039978 |
| Molecular Formula | C152H177N29O9S6 |
| Molecular Weight | 2746.68 g/mol |
| Exact Mass | 2744.26 |
| IUPAC Name | 1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one |
| SMILES | CCCCC(CC(=O)c1cnc(N2CCc3noc(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3onc(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3onc(C)c3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3cncc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)nc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ncnc3C2)s1)Cc1c[nH]c2ccccc12 |
| InChI | InChI=1S/3C26H30N4O2S.C25H30N6OS.C25H29N5OS.C24H28N6OS/c2*1-3-4-7-18(12-19-14-27-22-9-6-5-8-20(19)22)13-23(31)25-15-28-26(33-25)30-11-10-24-21(16-30)17(2)29-32-24;1-3-4-7-18(12-19-14-27-22-9-6-5-8-20(19)22)13-24(31)25-15-28-26(33-25)30-11-10-23-21(16-30)17(2)32-29-23;1-3-4-7-18(12-19-14-26-21-9-6-5-8-20(19)21)13-22(32)23-15-27-25(33-23)30-10-11-31-24(16-30)28-17(2)29-31;1-2-3-6-18(11-19-13-27-22-8-5-4-7-21(19)22)12-23(31)24-15-28-25(32-24)29-9-10-30-17-26-14-20(30)16-29;1-2-3-6-17(11-18-13-25-20-8-5-4-7-19(18)20)12-21(31)22-14-26-24(32-22)29-9-10-30-23(15-29)27-16-28-30/h3*5-6,8-9,14-15,18,27H,3-4,7,10-13,16H2,1-2H3;5-6,8-9,14-15,18,26H,3-4,7,10-13,16H2,1-2H3;4-5,7-8,13-15,17-18,27H,2-3,6,9-12,16H2,1H3;4-5,7-8,13-14,16-17,25H,2-3,6,9-12,15H2,1H3 |
| InChIKey | FIFQPNTVDYVDEM-UHFFFAOYSA-N |
| XLogP | 33.80 |
| TPSA | 451.27 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 196 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2746.68 |
| LogP ≤ 5 | 33.80 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 38 |
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Sources
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