4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one

C80H75Br2ClFN13O9 — CID 166768903

IUPAC4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one
SMILESCc1cnc(-c2nc(C(C)(C)O)cc(-c3ccncc3COc3cc(C)n(-c4cc(-c5nc(C(C)(C)O)ccc5C)ncc4C)c(=O)c3Br)c2C)cc1-n1c(C)cc(OCc2cnccc2-c2nc(C(C)(C)O)nc(-c3cc(-n4c(C)cc(OCc5cnccc5F)c(Br)c4=O)c(C)cn3)c2C)c(Cl)c1=O
InChIInChI=1S/C80H75Br2ClFN13O9/c1-40-16-17-65(78(10,11)101)91-70(40)56-28-59(41(2)31-88-56)95-44(5)24-62(67(81)74(95)98)104-37-49-34-85-21-18-52(49)54-27-66(79(12,13)102)92-72(47(54)8)57-29-61(43(4)33-89-57)97-46(7)26-64(69(83)76(97)100)106-38-50-35-86-22-19-53(50)71-48(9)73(94-77(93-71)80(14,15)103)58-30-60(42(3)32-90-58)96-45(6)25-63(68(82)75(96)99)105-39-51-36-87-23-20-55(51)84/h16-36,101-103H,37-39H2,1-15H3
InChIKeyPIZCXACANSATEK-UHFFFAOYSA-N
MW1576.82 g/mol
LogP14.94
Rot. Bonds20

About 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one

4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one (PubChem CID 166768903) has the molecular formula C80H75Br2ClFN13O9 and a molecular weight of 1576.82 g/mol. Its IUPAC name is 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one
PubChem CID166768903
Molecular FormulaC80H75Br2ClFN13O9
Molecular Weight1576.82 g/mol
Exact Mass1573.39
IUPAC Name4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one
SMILESCc1cnc(-c2nc(C(C)(C)O)cc(-c3ccncc3COc3cc(C)n(-c4cc(-c5nc(C(C)(C)O)ccc5C)ncc4C)c(=O)c3Br)c2C)cc1-n1c(C)cc(OCc2cnccc2-c2nc(C(C)(C)O)nc(-c3cc(-n4c(C)cc(OCc5cnccc5F)c(Br)c4=O)c(C)cn3)c2C)c(Cl)c1=O
InChIInChI=1S/C80H75Br2ClFN13O9/c1-40-16-17-65(78(10,11)101)91-70(40)56-28-59(41(2)31-88-56)95-44(5)24-62(67(81)74(95)98)104-37-49-34-85-21-18-52(49)54-27-66(79(12,13)102)92-72(47(54)8)57-29-61(43(4)33-89-57)97-46(7)26-64(69(83)76(97)100)106-38-50-35-86-22-19-53(50)71-48(9)73(94-77(93-71)80(14,15)103)58-30-60(42(3)32-90-58)96-45(6)25-63(68(82)75(96)99)105-39-51-36-87-23-20-55(51)84/h16-36,101-103H,37-39H2,1-15H3
InChIKeyPIZCXACANSATEK-UHFFFAOYSA-N
XLogP14.94
TPSA283.28 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.82
LogP ≤ 514.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-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

Related Compounds

3-bromo-4-[(5-fluoropyrimidin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
CID 86343150
3-bromo-4-[(3-fluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
CID 86344819
3-chloro-4-[(4-fluoro-3-pyridinyl)methoxy]-1-[6-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-3-methyl-2,3-dihydropyridin-4-yl]-6-methylpyridin-2-one
CID 170223490
3-bromo-4-[(4-fluoro-1H-pyridin-4-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
CID 118558307
3-bromo-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-4-pyridinyl]-6-methyl-4-[(2-methylphenyl)methoxy]pyridin-2-one
CID 67960461
3-chloro-1-[2-[5-chloro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
CID 165398462
3-bromo-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-4-pyridinyl]-4-[(3-methoxyphenyl)methoxy]-6-methylpyridin-2-one
CID 67777208
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one
CID 67777971
3-chloro-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-4-[(4-methylpyrimidin-2-yl)methoxy]pyridin-2-one
CID 71768661
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-ethynyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
CID 165398213
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(4-methoxyphenyl)methoxy]-6-methylpyridin-2-one
CID 86699307
3-bromo-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-4-pyridinyl]-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 67777323

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-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-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one (CID 166768903) is 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-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-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-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-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one is Cc1cnc(-c2nc(C(C)(C)O)cc(-c3ccncc3COc3cc(C)n(-c4cc(-c5nc(C(C)(C)O)ccc5C)ncc4C)c(=O)c3Br)c2C)cc1-n1c(C)cc(OCc2cnccc2-c2nc(C(C)(C)O)nc(-c3cc(-n4c(C)cc(OCc5cnccc5F)c(Br)c4=O)c(C)cn3)c2C)c(Cl)c1=O.
What is the InChIKey of 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one?
The InChIKey is PIZCXACANSATEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H75Br2ClFN13O9/c1-40-16-17-65(78(10,11)101)91-70(40)56-28-59(41(2)31-88-56)95-44(5)24-62(67(81)74(95)98)104-37-49-34-85-21-18-52(49)54-27-66(79(12,13)102)92-72(47(54)8)57-29-61(43(4)33-89-57)97-46(7)26-64(69(83)76(97)100)106-38-50-35-86-22-19-53(50)71-48(9)73(94-77(93-71)80(14,15)103)58-30-60(42(3)32-90-58)96-45(6)25-63(68(82)75(96)99)105-39-51-36-87-23-20-55(51)84/h16-36,101-103H,37-39H2,1-15H3.
What are the key properties of 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-pyridinyl]-6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-3-chloro-6-methylpyridin-2-one?
4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-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 1576.82 g/mol, XLogP of 14.94, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-[4-[3-bromo-4-[(4-fluoro-3-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-3-pyridinyl]methoxy]-1-[2-[4-[3-[[3-bromo-1-[2-[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-4-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 166768903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).