6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)

C132H86Cl6F3N23O6S — CID 159888698

IUPAC6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)
SMILESCc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc2s1
InChIInChI=1S/2C22H14ClFN4O.C22H13ClFN3OS.3C22H15ClN4O/c2*1-11-15-8-13(9-18(23)21(15)28-27-11)16-10-17-19(29)6-7-25-22(17)26-20(16)12-2-4-14(24)5-3-12;1-11-26-21-17(23)8-13(9-19(21)29-11)15-10-16-18(28)6-7-25-22(16)27-20(15)12-2-4-14(24)5-3-12;3*1-12-15-9-14(10-18(23)21(15)27-26-12)16-11-17-19(28)7-8-24-22(17)25-20(16)13-5-3-2-4-6-13/h2*2-10H,1H3,(H,27,28)(H,25,26,29);2-10H,1H3,(H,25,27,28);3*2-11H,1H3,(H,26,27)(H,24,25,28)
InChIKeyNULUQKMNDMOIHY-UHFFFAOYSA-N
MW2392.07 g/mol
LogP31.72
Rot. Bonds12

About 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)

6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one) (PubChem CID 159888698) has the molecular formula C132H86Cl6F3N23O6S and a molecular weight of 2392.07 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one).

Molecular Properties

Compound Name6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)
PubChem CID159888698
Molecular FormulaC132H86Cl6F3N23O6S
Molecular Weight2392.07 g/mol
Exact Mass2387.49
IUPAC Name6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)
SMILESCc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc2s1
InChIInChI=1S/2C22H14ClFN4O.C22H13ClFN3OS.3C22H15ClN4O/c2*1-11-15-8-13(9-18(23)21(15)28-27-11)16-10-17-19(29)6-7-25-22(17)26-20(16)12-2-4-14(24)5-3-12;1-11-26-21-17(23)8-13(9-19(21)29-11)15-10-16-18(28)6-7-25-22(16)27-20(15)12-2-4-14(24)5-3-12;3*1-12-15-9-14(10-18(23)21(15)27-26-12)16-11-17-19(28)7-8-24-22(17)25-20(16)13-5-3-2-4-6-13/h2*2-10H,1H3,(H,27,28)(H,25,26,29);2-10H,1H3,(H,25,27,28);3*2-11H,1H3,(H,26,27)(H,24,25,28)
InChIKeyNULUQKMNDMOIHY-UHFFFAOYSA-N
XLogP31.72
TPSA430.79 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002392.07
LogP ≤ 531.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one) with MolForge

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Related Compounds

5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile
CID 157050454
3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 157973126
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
CID 158989441
1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 159248081
6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinazolin-6-yl-1H-1,8-naphthyridin-4-one
CID 161838092
6-(1,3-benzothiazol-6-yl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyano-3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-isocyanopyrazol-1-yl)-1H-1,8-naphthyridin-4-one
CID 163985164

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)?
The IUPAC name of 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one) (CID 159888698) is 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one).
What is the SMILES notation for 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)?
The canonical SMILES for 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one) is Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccccc3)cc12.Cc1nc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccc(F)cc3)cc2s1.
What is the InChIKey of 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)?
The InChIKey is NULUQKMNDMOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14ClFN4O.C22H13ClFN3OS.3C22H15ClN4O/c2*1-11-15-8-13(9-18(23)21(15)28-27-11)16-10-17-19(29)6-7-25-22(17)26-20(16)12-2-4-14(24)5-3-12;1-11-26-21-17(23)8-13(9-19(21)29-11)15-10-16-18(28)6-7-25-22(16)27-20(15)12-2-4-14(24)5-3-12;3*1-12-15-9-14(10-18(23)21(15)27-26-12)16-11-17-19(28)7-8-24-22(17)25-20(16)13-5-3-2-4-6-13/h2*2-10H,1H3,(H,27,28)(H,25,26,29);2-10H,1H3,(H,25,27,28);3*2-11H,1H3,(H,26,27)(H,24,25,28).
What are the key properties of 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)?
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one) has a molecular weight of 2392.07 g/mol, XLogP of 31.72, 12 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one) is sourced from PubChem (CID 159888698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).