6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine
C105H113Br2F3IN23O4 — CID 157057801
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine
SMILESBrc1cn2c(I)cnc2c(NCCc2c[nH]c3ccccc23)n1.C=C(C)CCOCC.C=C(CCOCC)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)cn12.C=C(CCOCC)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(Br)cn12.CCOCCC(C)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)cn12.Cc1cncc(F)c1
InChIInChI=1S/C27H29FN6O.C27H27FN6O.C22H24BrN5O.C16H13BrIN5.C7H14O.C6H6FN/c2*1-3-35-11-9-18(2)25-16-32-27-26(30-10-8-19-14-31-23-7-5-4-6-22(19)23)33-24(17-34(25)27)20-12-21(28)15-29-13-20;1-3-29-11-9-15(2)19-13-26-22-21(27-20(23)14-28(19)22)24-10-8-16-12-25-18-7-5-4-6-17(16)18;17-13-9-23-14(18)8-21-16(23)15(22-13)19-6-5-10-7-20-12-4-2-1-3-11(10)12;1-4-8-6-5-7(2)3;1-5-2-6(7)4-8-3-5/h4-7,12-18,31H,3,8-11H2,1-2H3,(H,30,33);4-7,12-17,31H,2-3,8-11H2,1H3,(H,30,33);4-7,12-14,25H,2-3,8-11H2,1H3,(H,24,27);1-4,7-9,20H,5-6H2,(H,19,22);2,4-6H2,1,3H3;2-4H,1H3
InChIKeyAAYUBUINSONAQQ-UHFFFAOYSA-N
MW2104.92 g/mol
LogP23.92
Rot. Bonds37
About 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine
6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine (PubChem CID 157057801) has the molecular formula C105H113Br2F3IN23O4 and a molecular weight of 2104.92 g/mol. Its IUPAC name is 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine.
Molecular Properties
| Compound Name | 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine |
|---|---|
| PubChem CID | 157057801 |
| Molecular Formula | C105H113Br2F3IN23O4 |
| Molecular Weight | 2104.92 g/mol |
| Exact Mass | 2101.67 |
| IUPAC Name | 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine |
| SMILES | Brc1cn2c(I)cnc2c(NCCc2c[nH]c3ccccc23)n1.C=C(C)CCOCC.C=C(CCOCC)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)cn12.C=C(CCOCC)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(Br)cn12.CCOCCC(C)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)cn12.Cc1cncc(F)c1 |
| InChI | InChI=1S/C27H29FN6O.C27H27FN6O.C22H24BrN5O.C16H13BrIN5.C7H14O.C6H6FN/c2*1-3-35-11-9-18(2)25-16-32-27-26(30-10-8-19-14-31-23-7-5-4-6-22(19)23)33-24(17-34(25)27)20-12-21(28)15-29-13-20;1-3-29-11-9-15(2)19-13-26-22-21(27-20(23)14-28(19)22)24-10-8-16-12-25-18-7-5-4-6-17(16)18;17-13-9-23-14(18)8-21-16(23)15(22-13)19-6-5-10-7-20-12-4-2-1-3-11(10)12;1-4-8-6-5-7(2)3;1-5-2-6(7)4-8-3-5/h4-7,12-18,31H,3,8-11H2,1-2H3,(H,30,33);4-7,12-17,31H,2-3,8-11H2,1H3,(H,30,33);4-7,12-14,25H,2-3,8-11H2,1H3,(H,24,27);1-4,7-9,20H,5-6H2,(H,19,22);2,4-6H2,1,3H3;2-4H,1H3 |
| InChIKey | AAYUBUINSONAQQ-UHFFFAOYSA-N |
| XLogP | 23.92 |
| TPSA | 307.63 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 138 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2104.92 |
| LogP ≤ 5 | 23.92 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine?
The IUPAC name of 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine (CID 157057801) is 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine.
What is the SMILES notation for 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine?
The canonical SMILES for 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine is Brc1cn2c(I)cnc2c(NCCc2c[nH]c3ccccc23)n1.C=C(C)CCOCC.C=C(CCOCC)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)cn12.C=C(CCOCC)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(Br)cn12.CCOCCC(C)c1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3cncc(F)c3)cn12.Cc1cncc(F)c1.
What is the InChIKey of 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine?
The InChIKey is AAYUBUINSONAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O.C27H27FN6O.C22H24BrN5O.C16H13BrIN5.C7H14O.C6H6FN/c2*1-3-35-11-9-18(2)25-16-32-27-26(30-10-8-19-14-31-23-7-5-4-6-22(19)23)33-24(17-34(25)27)20-12-21(28)15-29-13-20;1-3-29-11-9-15(2)19-13-26-22-21(27-20(23)14-28(19)22)24-10-8-16-12-25-18-7-5-4-6-17(16)18;17-13-9-23-14(18)8-21-16(23)15(22-13)19-6-5-10-7-20-12-4-2-1-3-11(10)12;1-4-8-6-5-7(2)3;1-5-2-6(7)4-8-3-5/h4-7,12-18,31H,3,8-11H2,1-2H3,(H,30,33);4-7,12-17,31H,2-3,8-11H2,1H3,(H,30,33);4-7,12-14,25H,2-3,8-11H2,1H3,(H,24,27);1-4,7-9,20H,5-6H2,(H,19,22);2,4-6H2,1,3H3;2-4H,1H3.
What are the key properties of 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine?
6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine has a molecular weight of 2104.92 g/mol, XLogP of 23.92, 37 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;6-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-iodoimidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybutan-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;3-(4-ethoxybut-1-en-2-yl)-6-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine;4-ethoxy-2-methylbut-1-ene;3-fluoro-5-methylpyridine is sourced from PubChem (CID 157057801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157057801 — identifiers, structure, computed properties (public domain)
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