6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one

C114H82Cl6F2N22O7S — CID 161296750

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)s2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-n2ccc(C)n2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/2C20H13ClFN3O.C19H14ClN3O2.C19H14ClN3OS.2C18H14ClN5O/c1-11-8-14(10-17(21)23-11)16-9-13-4-7-18(26)24-20(13)25-19(16)12-2-5-15(22)6-3-12;1-11-8-13(9-18(21)24-11)15-10-16-17(26)6-7-23-20(16)25-19(15)12-2-4-14(22)5-3-12;2*1-10-7-12(8-17(20)22-10)13-9-14-15(24)5-6-21-19(14)23-18(13)16-4-3-11(2)25-16;1-10-7-11(8-16(19)21-10)12-9-13-15(25)3-5-20-18(13)22-17(12)14-4-6-24(2)23-14;1-10-4-6-24(23-10)18-13(12-7-11(2)21-16(19)8-12)9-14-15(25)3-5-20-17(14)22-18/h2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26);2*3-9H,1-2H3,(H,21,23,24);2*3-9H,1-2H3,(H,20,22,25)
InChIKeyVHBOKWXKUSVBPC-UHFFFAOYSA-N
MW2154.84 g/mol
LogP25.79
Rot. Bonds12

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 161296750) has the molecular formula C114H82Cl6F2N22O7S and a molecular weight of 2154.84 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID161296750
Molecular FormulaC114H82Cl6F2N22O7S
Molecular Weight2154.84 g/mol
Exact Mass2150.46
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)s2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-n2ccc(C)n2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/2C20H13ClFN3O.C19H14ClN3O2.C19H14ClN3OS.2C18H14ClN5O/c1-11-8-14(10-17(21)23-11)16-9-13-4-7-18(26)24-20(13)25-19(16)12-2-5-15(22)6-3-12;1-11-8-13(9-18(21)24-11)15-10-16-17(26)6-7-23-20(16)25-19(15)12-2-4-14(22)5-3-12;2*1-10-7-12(8-17(20)22-10)13-9-14-15(24)5-6-21-19(14)23-18(13)16-4-3-11(2)25-16;1-10-7-11(8-16(19)21-10)12-9-13-15(25)3-5-20-18(13)22-17(12)14-4-6-24(2)23-14;1-10-4-6-24(23-10)18-13(12-7-11(2)21-16(19)8-12)9-14-15(25)3-5-20-17(14)22-18/h2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26);2*3-9H,1-2H3,(H,21,23,24);2*3-9H,1-2H3,(H,20,22,25)
InChIKeyVHBOKWXKUSVBPC-UHFFFAOYSA-N
XLogP25.79
TPSA400.62 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002154.84
LogP ≤ 525.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (CID 161296750) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)s2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-n2ccc(C)n2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is VHBOKWXKUSVBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13ClFN3O.C19H14ClN3O2.C19H14ClN3OS.2C18H14ClN5O/c1-11-8-14(10-17(21)23-11)16-9-13-4-7-18(26)24-20(13)25-19(16)12-2-5-15(22)6-3-12;1-11-8-13(9-18(21)24-11)15-10-16-17(26)6-7-23-20(16)25-19(15)12-2-4-14(22)5-3-12;2*1-10-7-12(8-17(20)22-10)13-9-14-15(24)5-6-21-19(14)23-18(13)16-4-3-11(2)25-16;1-10-7-11(8-16(19)21-10)12-9-13-15(25)3-5-20-18(13)22-17(12)14-4-6-24(2)23-14;1-10-4-6-24(23-10)18-13(12-7-11(2)21-16(19)8-12)9-14-15(25)3-5-20-17(14)22-18/h2-10H,1H3,(H,24,25,26);2-10H,1H3,(H,23,25,26);2*3-9H,1-2H3,(H,21,23,24);2*3-9H,1-2H3,(H,20,22,25).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2154.84 g/mol, XLogP of 25.79, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 161296750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).