6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one

C70H50Cl3N9O6 — CID 155170986

IUPAC6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCC(=O)c1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3cccc(Cc4cc(-c5cc6c(=O)c(C(=O)C(C)C)c[nH]c6nc5-c5ccccc5Cc5cc(-c6c(-c7ccccc7)nc7[nH]ccc(=O)c7c6C(=O)C6CC6)cc(Cl)n5)cc(Cl)n4)c3)nc2[nH]1
InChIInChI=1S/C70H50Cl3N9O6/c1-34(2)65(86)52-33-75-68-51(67(52)88)31-49(43-25-45(77-57(72)28-43)23-37-11-10-15-41(22-37)62-48(42-21-35(3)76-56(71)27-42)30-50-55(85)32-53(36(4)83)79-69(50)80-62)64(82-68)47-16-9-8-14-40(47)24-46-26-44(29-58(73)78-46)59-61(66(87)39-17-18-39)60-54(84)19-20-74-70(60)81-63(59)38-12-6-5-7-13-38/h5-16,19-22,25-34,39H,17-18,23-24H2,1-4H3,(H,74,81,84)(H,75,82,88)(H,79,80,85)
InChIKeyFPMYHUSGZLJKAS-UHFFFAOYSA-N
MW1219.59 g/mol
LogP14.67
Rot. Bonds15

About 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one

6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 155170986) has the molecular formula C70H50Cl3N9O6 and a molecular weight of 1219.59 g/mol. Its IUPAC name is 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID155170986
Molecular FormulaC70H50Cl3N9O6
Molecular Weight1219.59 g/mol
Exact Mass1217.29
IUPAC Name6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCC(=O)c1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3cccc(Cc4cc(-c5cc6c(=O)c(C(=O)C(C)C)c[nH]c6nc5-c5ccccc5Cc5cc(-c6c(-c7ccccc7)nc7[nH]ccc(=O)c7c6C(=O)C6CC6)cc(Cl)n5)cc(Cl)n4)c3)nc2[nH]1
InChIInChI=1S/C70H50Cl3N9O6/c1-34(2)65(86)52-33-75-68-51(67(52)88)31-49(43-25-45(77-57(72)28-43)23-37-11-10-15-41(22-37)62-48(42-21-35(3)76-56(71)27-42)30-50-55(85)32-53(36(4)83)79-69(50)80-62)64(82-68)47-16-9-8-14-40(47)24-46-26-44(29-58(73)78-46)59-61(66(87)39-17-18-39)60-54(84)19-20-74-70(60)81-63(59)38-12-6-5-7-13-38/h5-16,19-22,25-34,39H,17-18,23-24H2,1-4H3,(H,74,81,84)(H,75,82,88)(H,79,80,85)
InChIKeyFPMYHUSGZLJKAS-UHFFFAOYSA-N
XLogP14.67
TPSA227.13 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.59
LogP ≤ 514.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 155170986) is 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one is CC(=O)c1cc(=O)c2cc(-c3cc(C)nc(Cl)c3)c(-c3cccc(Cc4cc(-c5cc6c(=O)c(C(=O)C(C)C)c[nH]c6nc5-c5ccccc5Cc5cc(-c6c(-c7ccccc7)nc7[nH]ccc(=O)c7c6C(=O)C6CC6)cc(Cl)n5)cc(Cl)n4)c3)nc2[nH]1.
What is the InChIKey of 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is FPMYHUSGZLJKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50Cl3N9O6/c1-34(2)65(86)52-33-75-68-51(67(52)88)31-49(43-25-45(77-57(72)28-43)23-37-11-10-15-41(22-37)62-48(42-21-35(3)76-56(71)27-42)30-50-55(85)32-53(36(4)83)79-69(50)80-62)64(82-68)47-16-9-8-14-40(47)24-46-26-44(29-58(73)78-46)59-61(66(87)39-17-18-39)60-54(84)19-20-74-70(60)81-63(59)38-12-6-5-7-13-38/h5-16,19-22,25-34,39H,17-18,23-24H2,1-4H3,(H,74,81,84)(H,75,82,88)(H,79,80,85).
What are the key properties of 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 1219.59 g/mol, XLogP of 14.67, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-[3-[2-[[3-[7-acetyl-3-(2-chloro-6-methyl-4-pyridinyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-6-(2-methylpropanoyl)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-6-chloro-4-pyridinyl]-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).