1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
C73H78Cl4F2N22O5 — CID 161113927
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
SMILESCC(=O)N1CCN(C(=O)C(C)Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)CC1.CC(F)(F)Oc1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1.CN(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1
InChIInChI=1S/C25H23Cl2F2N7O2.C25H26Cl2N8O.C23H29N7O2/c1-25(28,29)38-17-4-2-16(3-5-17)22-24(36-7-6-30-14-20(36)33-22)32-15-21(37)34-8-10-35(11-9-34)23-18(26)12-31-13-19(23)27;1-32(2)18-5-3-17(4-6-18)23-25(35-8-7-28-15-21(35)31-23)30-16-22(36)33-9-11-34(12-10-33)24-19(26)13-29-14-20(24)27;1-16(23(32)29-13-11-28(12-14-29)17(2)31)25-22-21(26-20-15-24-9-10-30(20)22)18-5-7-19(8-6-18)27(3)4/h2-7,12-14,32H,8-11,15H2,1H3;3-8,13-15,30H,9-12,16H2,1-2H3;5-10,15-16,25H,11-14H2,1-4H3
InChIKeyUKBGIAQGXBZWGK-UHFFFAOYSA-N
MW1523.38 g/mol
LogP10.73
Rot. Bonds18
About 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (PubChem CID 161113927) has the molecular formula C73H78Cl4F2N22O5 and a molecular weight of 1523.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.
Molecular Properties
| Compound Name | 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone |
|---|---|
| PubChem CID | 161113927 |
| Molecular Formula | C73H78Cl4F2N22O5 |
| Molecular Weight | 1523.38 g/mol |
| Exact Mass | 1520.52 |
| IUPAC Name | 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone |
| SMILES | CC(=O)N1CCN(C(=O)C(C)Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)CC1.CC(F)(F)Oc1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1.CN(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1 |
| InChI | InChI=1S/C25H23Cl2F2N7O2.C25H26Cl2N8O.C23H29N7O2/c1-25(28,29)38-17-4-2-16(3-5-17)22-24(36-7-6-30-14-20(36)33-22)32-15-21(37)34-8-10-35(11-9-34)23-18(26)12-31-13-19(23)27;1-32(2)18-5-3-17(4-6-18)23-25(35-8-7-28-15-21(35)31-23)30-16-22(36)33-9-11-34(12-10-33)24-19(26)13-29-14-20(24)27;1-16(23(32)29-13-11-28(12-14-29)17(2)31)25-22-21(26-20-15-24-9-10-30(20)22)18-5-7-19(8-6-18)27(3)4/h2-7,12-14,32H,8-11,15H2,1H3;3-8,13-15,30H,9-12,16H2,1-2H3;5-10,15-16,25H,11-14H2,1-4H3 |
| InChIKey | UKBGIAQGXBZWGK-UHFFFAOYSA-N |
| XLogP | 10.73 |
| TPSA | 255.87 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 106 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1523.38 |
| LogP ≤ 5 | 10.73 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (CID 161113927) is 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is CC(=O)N1CCN(C(=O)C(C)Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)CC1.CC(F)(F)Oc1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1.CN(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The InChIKey is UKBGIAQGXBZWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F2N7O2.C25H26Cl2N8O.C23H29N7O2/c1-25(28,29)38-17-4-2-16(3-5-17)22-24(36-7-6-30-14-20(36)33-22)32-15-21(37)34-8-10-35(11-9-34)23-18(26)12-31-13-19(23)27;1-32(2)18-5-3-17(4-6-18)23-25(35-8-7-28-15-21(35)31-23)30-16-22(36)33-9-11-34(12-10-33)24-19(26)13-29-14-20(24)27;1-16(23(32)29-13-11-28(12-14-29)17(2)31)25-22-21(26-20-15-24-9-10-30(20)22)18-5-7-19(8-6-18)27(3)4/h2-7,12-14,32H,8-11,15H2,1H3;3-8,13-15,30H,9-12,16H2,1-2H3;5-10,15-16,25H,11-14H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone has a molecular weight of 1523.38 g/mol, XLogP of 10.73, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(1,1-difluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is sourced from PubChem (CID 161113927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161113927 — identifiers, structure, computed properties (public domain)
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