7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one

C72H50Cl3N13O3 — CID 155171002

IUPAC7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccc(Cc4cc(-c5cc6c(=O)cc(-c7cccnc7)[nH]c6nc5-c5cccc(Cc6cc(-c7cc8c(=O)c(-c9ccn[nH]9)c[nH]c8nc7-c7ccccc7)cc(Cl)n6)c5)cc(Cl)n4)cc3)nc3[nH]ccc(=O)c3c2C2CN(C)C2)cc(Cl)n1
InChIInChI=1S/C72H50Cl3N13O3/c1-38-22-47(30-60(73)80-38)64-63(48-36-88(2)37-48)65-58(89)18-20-77-72(65)86-68(64)42-15-13-39(14-16-42)24-49-26-45(28-61(74)81-49)51-31-53-59(90)33-57(44-12-7-19-76-34-44)83-71(53)85-67(51)43-11-6-8-40(23-43)25-50-27-46(29-62(75)82-50)52-32-54-69(91)55(56-17-21-79-87-56)35-78-70(54)84-66(52)41-9-4-3-5-10-41/h3-23,26-35,48H,24-25,36-37H2,1-2H3,(H,79,87)(H,77,86,89)(H,78,84,91)(H,83,85,90)
InChIKeyOVJSVKGFOOLFJW-UHFFFAOYSA-N
MW1251.64 g/mol
LogP14.51
Rot. Bonds13

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

7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 155171002) has the molecular formula C72H50Cl3N13O3 and a molecular weight of 1251.64 g/mol. Its IUPAC name is 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one
PubChem CID155171002
Molecular FormulaC72H50Cl3N13O3
Molecular Weight1251.64 g/mol
Exact Mass1249.32
IUPAC Name7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccc(Cc4cc(-c5cc6c(=O)cc(-c7cccnc7)[nH]c6nc5-c5cccc(Cc6cc(-c7cc8c(=O)c(-c9ccn[nH]9)c[nH]c8nc7-c7ccccc7)cc(Cl)n6)c5)cc(Cl)n4)cc3)nc3[nH]ccc(=O)c3c2C2CN(C)C2)cc(Cl)n1
InChIInChI=1S/C72H50Cl3N13O3/c1-38-22-47(30-60(73)80-38)64-63(48-36-88(2)37-48)65-58(89)18-20-77-72(65)86-68(64)42-15-13-39(14-16-42)24-49-26-45(28-61(74)81-49)51-31-53-59(90)33-57(44-12-7-19-76-34-44)83-71(53)85-67(51)43-11-6-8-40(23-43)25-50-27-46(29-62(75)82-50)52-32-54-69(91)55(56-17-21-79-87-56)35-78-70(54)84-66(52)41-9-4-3-5-10-41/h3-23,26-35,48H,24-25,36-37H2,1-2H3,(H,79,87)(H,77,86,89)(H,78,84,91)(H,83,85,90)
InChIKeyOVJSVKGFOOLFJW-UHFFFAOYSA-N
XLogP14.51
TPSA220.73 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.64
LogP ≤ 514.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one (CID 155171002) is 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2c(-c3ccc(Cc4cc(-c5cc6c(=O)cc(-c7cccnc7)[nH]c6nc5-c5cccc(Cc6cc(-c7cc8c(=O)c(-c9ccn[nH]9)c[nH]c8nc7-c7ccccc7)cc(Cl)n6)c5)cc(Cl)n4)cc3)nc3[nH]ccc(=O)c3c2C2CN(C)C2)cc(Cl)n1.
What is the InChIKey of 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is OVJSVKGFOOLFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50Cl3N13O3/c1-38-22-47(30-60(73)80-38)64-63(48-36-88(2)37-48)65-58(89)18-20-77-72(65)86-68(64)42-15-13-39(14-16-42)24-49-26-45(28-61(74)81-49)51-31-53-59(90)33-57(44-12-7-19-76-34-44)83-71(53)85-67(51)43-11-6-8-40(23-43)25-50-27-46(29-62(75)82-50)52-32-54-69(91)55(56-17-21-79-87-56)35-78-70(54)84-66(52)41-9-4-3-5-10-41/h3-23,26-35,48H,24-25,36-37H2,1-2H3,(H,79,87)(H,77,86,89)(H,78,84,91)(H,83,85,90).
What are the key properties of 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one?
7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 1251.64 g/mol, XLogP of 14.51, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[6-chloro-4-[2-[3-[[6-chloro-4-[5-oxo-2-phenyl-6-(1H-pyrazol-5-yl)-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-5-oxo-7-pyridin-3-yl-8H-1,8-naphthyridin-3-yl]-2-pyridinyl]methyl]phenyl]-6-(2-chloro-6-methyl-4-pyridinyl)-5-(1-methylazetidin-3-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155171002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).