About 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one
4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one (PubChem CID 166768789) has the molecular formula C110H107Br2Cl2FN18O12
and a molecular weight of 2122.89 g/mol. Its IUPAC name is 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one.
Molecular Properties
| Compound Name | 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one |
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| PubChem CID | 166768789 |
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| Molecular Formula | C110H107Br2Cl2FN18O12 |
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| Molecular Weight | 2122.89 g/mol |
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| Exact Mass | 2118.60 |
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| IUPAC Name | 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one |
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| SMILES | Cc1cnc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)O)nc(-c5cc(C)cnc5COc5cc(C)n(-c6cc(-c7nc(C(C)(C)O)nc(-c8cc(C)cnc8COc8cc(C)n(-c9cc(-c%10nc(C(C)(C)O)cc(-c%11cc(C)cnc%11COc%11cc(C)n(-c%12cc(-c%13nc(C(C)(C)O)ccc%13C)ncc%12C)c(=O)c%11Br)c%10C)ncc9C)c(=O)c8Cl)c7C)ncc6C)c(=O)c5Br)c4C)ncc3C)c(=O)c2Cl)c(F)c1 |
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| InChI | InChI=1S/C110H107Br2Cl2FN18O12/c1-52-27-69(77(116-40-52)48-142-85-31-61(10)130(101(134)91(85)111)81-36-73(120-44-57(81)6)95-56(5)25-26-89(124-95)107(17,18)138)68-35-90(108(19,20)139)125-98(65(68)14)74-37-83(59(8)46-121-74)132-63(12)33-87(93(113)103(132)136)144-50-79-71(29-54(3)42-118-79)97-67(16)99(128-106(127-97)110(23,24)141)75-38-82(58(7)45-122-75)131-62(11)32-86(92(112)102(131)135)143-49-78-70(28-53(2)41-117-78)96-66(15)100(129-105(126-96)109(21,22)140)76-39-84(60(9)47-123-76)133-64(13)34-88(94(114)104(133)137)145-51-80-72(115)30-55(4)43-119-80/h25-47,138-141H,48-51H2,1-24H3 |
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| InChIKey | GGYDKTKQFFWWPP-UHFFFAOYSA-N |
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| XLogP | 20.62 |
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| TPSA | 386.30 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 30 |
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| Rotatable Bonds | 27 |
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| Heavy Atoms | 145 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2122.89 |
| LogP ≤ 5 | 20.62 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 30 |
Analyze 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one?
The IUPAC name of 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one (CID 166768789) is 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one.
What is the SMILES notation for 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one?
The canonical SMILES for 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one is Cc1cnc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)O)nc(-c5cc(C)cnc5COc5cc(C)n(-c6cc(-c7nc(C(C)(C)O)nc(-c8cc(C)cnc8COc8cc(C)n(-c9cc(-c%10nc(C(C)(C)O)cc(-c%11cc(C)cnc%11COc%11cc(C)n(-c%12cc(-c%13nc(C(C)(C)O)ccc%13C)ncc%12C)c(=O)c%11Br)c%10C)ncc9C)c(=O)c8Cl)c7C)ncc6C)c(=O)c5Br)c4C)ncc3C)c(=O)c2Cl)c(F)c1.
What is the InChIKey of 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one?
The InChIKey is GGYDKTKQFFWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H107Br2Cl2FN18O12/c1-52-27-69(77(116-40-52)48-142-85-31-61(10)130(101(134)91(85)111)81-36-73(120-44-57(81)6)95-56(5)25-26-89(124-95)107(17,18)138)68-35-90(108(19,20)139)125-98(65(68)14)74-37-83(59(8)46-121-74)132-63(12)33-87(93(113)103(132)136)144-50-79-71(29-54(3)42-118-79)97-67(16)99(128-106(127-97)110(23,24)141)75-38-82(58(7)45-122-75)131-62(11)32-86(92(112)102(131)135)143-49-78-70(28-53(2)41-117-78)96-66(15)100(129-105(126-96)109(21,22)140)76-39-84(60(9)47-123-76)133-64(13)34-88(94(114)104(133)137)145-51-80-72(115)30-55(4)43-119-80/h25-47,138-141H,48-51H2,1-24H3.
What are the key properties of 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one?
4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one has a molecular weight of 2122.89 g/mol, XLogP of 20.62, 27 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-[4-[3-bromo-4-[[3-[6-[4-[3-chloro-4-[(3-fluoro-5-methyl-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-2-pyridinyl]methoxy]-1-[2-[4-[2-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-methyl-3-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one is sourced from PubChem (CID 166768789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).