Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
C89H89F15N32O4 — CID 159456762
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.CCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.COCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=NCC=C5)C4)n3)cnc2cn1
InChIInChI=1S/C20H18F3N7.2C18H19F3N6O.C17H17F3N6O2.C16H16F3N7/c21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-5-17(28-19)29-8-2-3-13(11-29)14-4-1-6-24-14;2*1-3-12-9-26(8-11(2)28-12)15-4-5-22-17(25-15)13-6-24-16-7-23-14(10-27(13)16)18(19,20)21;1-27-10-11-8-25(4-5-28-11)14-2-3-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20;1-24-4-6-25(7-5-24)13-2-3-20-15(23-13)11-8-22-14-9-21-12(10-26(11)14)16(17,18)19/h1,4-5,7,9-10,12-13H,2-3,6,8,11H2;2*4-7,10-12H,3,8-9H2,1-2H3;2-3,6-7,9,11H,4-5,8,10H2,1H3;2-3,8-10H,4-7H2,1H3
InChIKeyLUBNMQGPSHEGLC-UHFFFAOYSA-N
MW1955.88 g/mol
LogP13.86
Rot. Bonds15
About Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 159456762) has the molecular formula C89H89F15N32O4 and a molecular weight of 1955.88 g/mol. Its IUPAC name is bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
Molecular Properties
| Compound Name | Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine |
|---|---|
| PubChem CID | 159456762 |
| Molecular Formula | C89H89F15N32O4 |
| Molecular Weight | 1955.88 g/mol |
| Exact Mass | 1954.75 |
| IUPAC Name | bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine |
| SMILES | CCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.CCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.COCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=NCC=C5)C4)n3)cnc2cn1 |
| InChI | InChI=1S/C20H18F3N7.2C18H19F3N6O.C17H17F3N6O2.C16H16F3N7/c21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-5-17(28-19)29-8-2-3-13(11-29)14-4-1-6-24-14;2*1-3-12-9-26(8-11(2)28-12)15-4-5-22-17(25-15)13-6-24-16-7-23-14(10-27(13)16)18(19,20)21;1-27-10-11-8-25(4-5-28-11)14-2-3-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20;1-24-4-6-25(7-5-24)13-2-3-20-15(23-13)11-8-22-14-9-21-12(10-26(11)14)16(17,18)19/h1,4-5,7,9-10,12-13H,2-3,6,8,11H2;2*4-7,10-12H,3,8-9H2,1-2H3;2-3,6-7,9,11H,4-5,8,10H2,1H3;2-3,8-10H,4-7H2,1H3 |
| InChIKey | LUBNMQGPSHEGLC-UHFFFAOYSA-N |
| XLogP | 13.86 |
| TPSA | 348.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 140 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1955.88 |
| LogP ≤ 5 | 13.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 159456762) is bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.CCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)O1.CN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.COCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(C5=NCC=C5)C4)n3)cnc2cn1.
What is the InChIKey of Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is LUBNMQGPSHEGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7.2C18H19F3N6O.C17H17F3N6O2.C16H16F3N7/c21-20(22,23)16-12-30-15(9-27-18(30)10-26-16)19-25-7-5-17(28-19)29-8-2-3-13(11-29)14-4-1-6-24-14;2*1-3-12-9-26(8-11(2)28-12)15-4-5-22-17(25-15)13-6-24-16-7-23-14(10-27(13)16)18(19,20)21;1-27-10-11-8-25(4-5-28-11)14-2-3-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20;1-24-4-6-25(7-5-24)13-2-3-20-15(23-13)11-8-22-14-9-21-12(10-26(11)14)16(17,18)19/h1,4-5,7,9-10,12-13H,2-3,6,8,11H2;2*4-7,10-12H,3,8-9H2,1-2H3;2-3,6-7,9,11H,4-5,8,10H2,1H3;2-3,8-10H,4-7H2,1H3.
What are the key properties of Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 1955.88 g/mol, XLogP of 13.86, 15 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 159456762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159456762 — identifiers, structure, computed properties (public domain)
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