6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one

C72H69ClFN9O15S3 — CID 138737075

IUPAC6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(C)c3cc(-c4cccc(COc5cc(C(CS(C)(=O)=O)n6c(=O)[nH]c7cc(-c8ccc(COc9cc(C(CS(C)(=O)=O)n%10c(=O)[nH]c%11cc(-c%12ccccc%12C)cnc%11%10)ccc9OC)cc8Cl)cnc76)ccc5OC)c4F)cnc32)ccc1OC
InChIInChI=1S/C72H69ClFN9O15S3/c1-10-96-63-30-45(21-23-60(63)93-4)59(40-101(9,91)92)83-69-56(80(3)72(83)86)29-49(35-77-69)52-17-13-15-46(66(52)74)37-98-65-32-44(20-25-62(65)95-6)58(39-100(8,89)90)82-68-55(79-71(82)85)28-48(34-76-68)51-22-18-42(26-53(51)73)36-97-64-31-43(19-24-61(64)94-5)57(38-99(7,87)88)81-67-54(78-70(81)84)27-47(33-75-67)50-16-12-11-14-41(50)2/h11-35,57-59H,10,36-40H2,1-9H3,(H,78,84)(H,79,85)
InChIKeyNOLPSKMTGUCJPJ-UHFFFAOYSA-N
MW1451.04 g/mol
LogP10.40
Rot. Bonds26

About 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one

6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 138737075) has the molecular formula C72H69ClFN9O15S3 and a molecular weight of 1451.04 g/mol. Its IUPAC name is 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID138737075
Molecular FormulaC72H69ClFN9O15S3
Molecular Weight1451.04 g/mol
Exact Mass1449.37
IUPAC Name6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(C)c3cc(-c4cccc(COc5cc(C(CS(C)(=O)=O)n6c(=O)[nH]c7cc(-c8ccc(COc9cc(C(CS(C)(=O)=O)n%10c(=O)[nH]c%11cc(-c%12ccccc%12C)cnc%11%10)ccc9OC)cc8Cl)cnc76)ccc5OC)c4F)cnc32)ccc1OC
InChIInChI=1S/C72H69ClFN9O15S3/c1-10-96-63-30-45(21-23-60(63)93-4)59(40-101(9,91)92)83-69-56(80(3)72(83)86)29-49(35-77-69)52-17-13-15-46(66(52)74)37-98-65-32-44(20-25-62(65)95-6)58(39-100(8,89)90)82-68-55(79-71(82)85)28-48(34-76-68)51-22-18-42(26-53(51)73)36-97-64-31-43(19-24-61(64)94-5)57(38-99(7,87)88)81-67-54(78-70(81)84)27-47(33-75-67)50-16-12-11-14-41(50)2/h11-35,57-59H,10,36-40H2,1-9H3,(H,78,84)(H,79,85)
InChIKeyNOLPSKMTGUCJPJ-UHFFFAOYSA-N
XLogP10.40
TPSA298.98 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.04
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 138737075) is 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one is CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(C)c3cc(-c4cccc(COc5cc(C(CS(C)(=O)=O)n6c(=O)[nH]c7cc(-c8ccc(COc9cc(C(CS(C)(=O)=O)n%10c(=O)[nH]c%11cc(-c%12ccccc%12C)cnc%11%10)ccc9OC)cc8Cl)cnc76)ccc5OC)c4F)cnc32)ccc1OC.
What is the InChIKey of 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is NOLPSKMTGUCJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H69ClFN9O15S3/c1-10-96-63-30-45(21-23-60(63)93-4)59(40-101(9,91)92)83-69-56(80(3)72(83)86)29-49(35-77-69)52-17-13-15-46(66(52)74)37-98-65-32-44(20-25-62(65)95-6)58(39-100(8,89)90)82-68-55(79-71(82)85)28-48(34-76-68)51-22-18-42(26-53(51)73)36-97-64-31-43(19-24-61(64)94-5)57(38-99(7,87)88)81-67-54(78-70(81)84)27-47(33-75-67)50-16-12-11-14-41(50)2/h11-35,57-59H,10,36-40H2,1-9H3,(H,78,84)(H,79,85).
What are the key properties of 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 1451.04 g/mol, XLogP of 10.40, 26 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[5-[1-[6-[2-chloro-4-[[2-methoxy-5-[1-[6-(2-methylphenyl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]phenoxy]methyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-2-methylsulfonylethyl]-2-methoxyphenoxy]methyl]-2-fluorophenyl]-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138737075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).