3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid
C85H77ClF3N19O7 — CID 158220230
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid
SMILESCN(C)CCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(Cl)cc3)n2)c1.COc1cc(-c2cn3ccnc3c(Nc3ccccc3)n2)cc(OC)c1OC.FC(F)(F)Oc1cccc(-c2cn3ccnc3c(Nc3ccccc3)n2)c1.O=C(O)CCc1ccc(-c2cn3ccnc3c(NCCc3ccncc3)n2)cc1
InChIInChI=1S/C23H23ClN6O.C22H21N5O2.C21H20N4O3.C19H13F3N4O/c1-29(2)12-10-26-23(31)17-5-3-4-16(14-17)20-15-30-13-11-25-22(30)21(28-20)27-19-8-6-18(24)7-9-19;28-20(29)6-3-16-1-4-18(5-2-16)19-15-27-14-13-25-22(27)21(26-19)24-12-9-17-7-10-23-11-8-17;1-26-17-11-14(12-18(27-2)19(17)28-3)16-13-25-10-9-22-21(25)20(24-16)23-15-7-5-4-6-8-15;20-19(21,22)27-15-8-4-5-13(11-15)16-12-26-10-9-23-18(26)17(25-16)24-14-6-2-1-3-7-14/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,31)(H,27,28);1-2,4-5,7-8,10-11,13-15H,3,6,9,12H2,(H,24,26)(H,28,29);4-13H,1-3H3,(H,23,24);1-12H,(H,24,25)
InChIKeyGDDOQAIHIHVORC-UHFFFAOYSA-N
MW1569.12 g/mol
LogP16.75
Rot. Bonds25
About 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid
3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid (PubChem CID 158220230) has the molecular formula C85H77ClF3N19O7 and a molecular weight of 1569.12 g/mol. Its IUPAC name is 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid.
Molecular Properties
| Compound Name | 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid |
|---|---|
| PubChem CID | 158220230 |
| Molecular Formula | C85H77ClF3N19O7 |
| Molecular Weight | 1569.12 g/mol |
| Exact Mass | 1567.59 |
| IUPAC Name | 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid |
| SMILES | CN(C)CCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(Cl)cc3)n2)c1.COc1cc(-c2cn3ccnc3c(Nc3ccccc3)n2)cc(OC)c1OC.FC(F)(F)Oc1cccc(-c2cn3ccnc3c(Nc3ccccc3)n2)c1.O=C(O)CCc1ccc(-c2cn3ccnc3c(NCCc3ccncc3)n2)cc1 |
| InChI | InChI=1S/C23H23ClN6O.C22H21N5O2.C21H20N4O3.C19H13F3N4O/c1-29(2)12-10-26-23(31)17-5-3-4-16(14-17)20-15-30-13-11-25-22(30)21(28-20)27-19-8-6-18(24)7-9-19;28-20(29)6-3-16-1-4-18(5-2-16)19-15-27-14-13-25-22(27)21(26-19)24-12-9-17-7-10-23-11-8-17;1-26-17-11-14(12-18(27-2)19(17)28-3)16-13-25-10-9-22-21(25)20(24-16)23-15-7-5-4-6-8-15;20-19(21,22)27-15-8-4-5-13(11-15)16-12-26-10-9-23-18(26)17(25-16)24-14-6-2-1-3-7-14/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,31)(H,27,28);1-2,4-5,7-8,10-11,13-15H,3,6,9,12H2,(H,24,26)(H,28,29);4-13H,1-3H3,(H,23,24);1-12H,(H,24,25) |
| InChIKey | GDDOQAIHIHVORC-UHFFFAOYSA-N |
| XLogP | 16.75 |
| TPSA | 288.33 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 115 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1569.12 |
| LogP ≤ 5 | 16.75 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid?
The IUPAC name of 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid (CID 158220230) is 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid is CN(C)CCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(Cl)cc3)n2)c1.COc1cc(-c2cn3ccnc3c(Nc3ccccc3)n2)cc(OC)c1OC.FC(F)(F)Oc1cccc(-c2cn3ccnc3c(Nc3ccccc3)n2)c1.O=C(O)CCc1ccc(-c2cn3ccnc3c(NCCc3ccncc3)n2)cc1.
What is the InChIKey of 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid?
The InChIKey is GDDOQAIHIHVORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O.C22H21N5O2.C21H20N4O3.C19H13F3N4O/c1-29(2)12-10-26-23(31)17-5-3-4-16(14-17)20-15-30-13-11-25-22(30)21(28-20)27-19-8-6-18(24)7-9-19;28-20(29)6-3-16-1-4-18(5-2-16)19-15-27-14-13-25-22(27)21(26-19)24-12-9-17-7-10-23-11-8-17;1-26-17-11-14(12-18(27-2)19(17)28-3)16-13-25-10-9-22-21(25)20(24-16)23-15-7-5-4-6-8-15;20-19(21,22)27-15-8-4-5-13(11-15)16-12-26-10-9-23-18(26)17(25-16)24-14-6-2-1-3-7-14/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,31)(H,27,28);1-2,4-5,7-8,10-11,13-15H,3,6,9,12H2,(H,24,26)(H,28,29);4-13H,1-3H3,(H,23,24);1-12H,(H,24,25).
What are the key properties of 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid?
3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid has a molecular weight of 1569.12 g/mol, XLogP of 16.75, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;N-phenyl-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;3-[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]propanoic acid is sourced from PubChem (CID 158220230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158220230 — identifiers, structure, computed properties (public domain)
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