2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone
C70H62BrN11O3 — CID 143046911
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone
SMILESCCn1nc(C)c(Br)c1C(=O)Cc1c(-c2ccc(CCc3ccc4nc(-c5ccc(C)cc5)c(CC(=O)c5cc6ccccc6n5C)n4c3)cc2)nc2ccc(CCc3ccc(-c4nc5ccc(C)cn5c4CC(=O)c4nccn4C)cc3)cn12
InChIInChI=1S/C70H62BrN11O3/c1-7-82-69(65(71)45(4)76-82)60(84)38-57-67(75-64-33-24-49(42-81(57)64)18-16-47-21-29-52(30-22-47)68-58(39-61(85)70-72-34-35-77(70)5)79-40-44(3)14-31-62(79)73-68)51-27-19-46(20-28-51)15-17-48-23-32-63-74-66(50-25-12-43(2)13-26-50)56(80(63)41-48)37-59(83)55-36-53-10-8-9-11-54(53)78(55)6/h8-14,19-36,40-42H,7,15-18,37-39H2,1-6H3
InChIKeyHDWJDXQKMDBULU-UHFFFAOYSA-N
MW1185.24 g/mol
LogP13.61
Rot. Bonds19
About 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone
2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone (PubChem CID 143046911) has the molecular formula C70H62BrN11O3 and a molecular weight of 1185.24 g/mol. Its IUPAC name is 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone.
Molecular Properties
| Compound Name | 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone |
|---|---|
| PubChem CID | 143046911 |
| Molecular Formula | C70H62BrN11O3 |
| Molecular Weight | 1185.24 g/mol |
| Exact Mass | 1183.42 |
| IUPAC Name | 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone |
| SMILES | CCn1nc(C)c(Br)c1C(=O)Cc1c(-c2ccc(CCc3ccc4nc(-c5ccc(C)cc5)c(CC(=O)c5cc6ccccc6n5C)n4c3)cc2)nc2ccc(CCc3ccc(-c4nc5ccc(C)cn5c4CC(=O)c4nccn4C)cc3)cn12 |
| InChI | InChI=1S/C70H62BrN11O3/c1-7-82-69(65(71)45(4)76-82)60(84)38-57-67(75-64-33-24-49(42-81(57)64)18-16-47-21-29-52(30-22-47)68-58(39-61(85)70-72-34-35-77(70)5)79-40-44(3)14-31-62(79)73-68)51-27-19-46(20-28-51)15-17-48-23-32-63-74-66(50-25-12-43(2)13-26-50)56(80(63)41-48)37-59(83)55-36-53-10-8-9-11-54(53)78(55)6/h8-14,19-36,40-42H,7,15-18,37-39H2,1-6H3 |
| InChIKey | HDWJDXQKMDBULU-UHFFFAOYSA-N |
| XLogP | 13.61 |
| TPSA | 143.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 85 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1185.24 |
| LogP ≤ 5 | 13.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Frequently Asked Questions
What is the IUPAC name of 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone?
The IUPAC name of 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone (CID 143046911) is 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone.
What is the SMILES notation for 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone?
The canonical SMILES for 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone is CCn1nc(C)c(Br)c1C(=O)Cc1c(-c2ccc(CCc3ccc4nc(-c5ccc(C)cc5)c(CC(=O)c5cc6ccccc6n5C)n4c3)cc2)nc2ccc(CCc3ccc(-c4nc5ccc(C)cn5c4CC(=O)c4nccn4C)cc3)cn12.
What is the InChIKey of 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone?
The InChIKey is HDWJDXQKMDBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62BrN11O3/c1-7-82-69(65(71)45(4)76-82)60(84)38-57-67(75-64-33-24-49(42-81(57)64)18-16-47-21-29-52(30-22-47)68-58(39-61(85)70-72-34-35-77(70)5)79-40-44(3)14-31-62(79)73-68)51-27-19-46(20-28-51)15-17-48-23-32-63-74-66(50-25-12-43(2)13-26-50)56(80(63)41-48)37-59(83)55-36-53-10-8-9-11-54(53)78(55)6/h8-14,19-36,40-42H,7,15-18,37-39H2,1-6H3.
What are the key properties of 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone?
2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone has a molecular weight of 1185.24 g/mol, XLogP of 13.61, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[4-[3-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-oxoethyl]-6-[2-[4-[6-methyl-3-[2-(1-methylimidazol-2-yl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(1-methylindol-2-yl)ethanone is sourced from PubChem (CID 143046911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 143046911 — identifiers, structure, computed properties (public domain)
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