6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine

C130H106F10N24O2S — CID 160987149

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 160987149) has the molecular formula C130H106F10N24O2S and a molecular weight of 2258.49 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
• PubChem CID: 160987149
• Molecular Formula: C130H106F10N24O2S
• Molecular Weight: 2258.49 g/mol
• Exact Mass: 2256.85
• IUPAC Name: 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
• SMILES: Cc1cc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2F)ccn1.Cc1cc(-c2ccc(CNc3nccc4cc(N5CCN(C)CC5)ncc34)cc2)ccn1.Cc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)ccn1.Fc1cccc(-c2cc3ccnc(NCc4ccc(-c5ccnc(F)c5)c(F)c4)c3cn2)c1.Fc1cccc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C(F)(F)F)c5)c(F)c4)c3cn2)c1
• InChI: InChI=1S/C27H20F2N4.C26H16F5N5.C26H17F3N4.C26H28N6.C25H25N5O2S/c1-17-11-19(7-9-30-17)23-6-5-18(12-25(23)29)15-33-27-24-16-32-26(14-20(24)8-10-31-27)21-3-2-4-22(28)13-21;27-19-3-1-2-17(9-19)22-10-16-4-7-33-25(20(16)14-34-22)36-13-15-8-21(28)24(35-12-15)18-5-6-32-23(11-18)26(29,30)31;27-20-3-1-2-19(11-20)24-12-17-7-9-31-26(22(17)15-32-24)33-14-16-4-5-21(23(28)10-16)18-6-8-30-25(29)13-18;1-19-15-22(7-9-27-19)21-5-3-20(4-6-21)17-30-26-24-18-29-25(16-23(24)8-10-28-26)32-13-11-31(2)12-14-32;1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-33(31,32)13-11-30/h2-14,16H,15H2,1H3,(H,31,33);1-12,14H,13H2,(H,33,36);1-13,15H,14H2,(H,31,33);3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,30);2-9,14-15,17H,10-13,16H2,1H3,(H,27,29)
• InChIKey: TUCXCRNHKDWUIB-UHFFFAOYSA-N
• XLogP: 27.82
• TPSA: 310.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.49
LogP ≤ 5	27.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?

The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 160987149) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?

The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2F)ccn1.Cc1cc(-c2ccc(CNc3nccc4cc(N5CCN(C)CC5)ncc34)cc2)ccn1.Cc1cc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)ccn1.Fc1cccc(-c2cc3ccnc(NCc4ccc(-c5ccnc(F)c5)c(F)c4)c3cn2)c1.Fc1cccc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C(F)(F)F)c5)c(F)c4)c3cn2)c1.

What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?

The InChIKey is TUCXCRNHKDWUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4.C26H16F5N5.C26H17F3N4.C26H28N6.C25H25N5O2S/c1-17-11-19(7-9-30-17)23-6-5-18(12-25(23)29)15-33-27-24-16-32-26(14-20(24)8-10-31-27)21-3-2-4-22(28)13-21;27-19-3-1-2-17(9-19)22-10-16-4-7-33-25(20(16)14-34-22)36-13-15-8-21(28)24(35-12-15)18-5-6-32-23(11-18)26(29,30)31;27-20-3-1-2-19(11-20)24-12-17-7-9-31-26(22(17)15-32-24)33-14-16-4-5-21(23(28)10-16)18-6-8-30-25(29)13-18;1-19-15-22(7-9-27-19)21-5-3-20(4-6-21)17-30-26-24-18-29-25(16-23(24)8-10-28-26)32-13-11-31(2)12-14-32;1-18-14-21(6-8-26-18)20-4-2-19(3-5-20)16-29-25-23-17-28-24(15-22(23)7-9-27-25)30-10-12-33(31,32)13-11-30/h2-14,16H,15H2,1H3,(H,31,33);1-12,14H,13H2,(H,33,36);1-13,15H,14H2,(H,31,33);3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,30);2-9,14-15,17H,10-13,16H2,1H3,(H,27,29).

What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 2258.49 g/mol, XLogP of 27.82, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylpiperazin-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 160987149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).