4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane

C₉₂H₉₂BBrCl₃F₃N₁₈O₆ — CID 159990765

About 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane

4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane (PubChem CID 159990765) has the molecular formula C₉₂H₉₂BBrCl₃F₃N₁₈O₆ and a molecular weight of 1799.94 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane.

Molecular Properties

• Compound Name: 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane
• PubChem CID: 159990765
• Molecular Formula: C₉₂H₉₂BBrCl₃F₃N₁₈O₆
• Molecular Weight: 1799.94 g/mol
• Exact Mass: 1796.57
• IUPAC Name: 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane
• SMILES: C.CN(CCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1)C(=O)OC(C)(C)C.CN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CNCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1
• InChI: InChI=1S/C30H28ClFN6O2.C25H20ClFN6.C19H10BrClFN3.C17H30BN3O4.CH4/c1-30(2,3)40-29(39)37(4)10-11-38-18-21(17-35-38)19-12-20(16-33-15-19)24-14-27(25-13-22(31)7-8-26(25)32)36-28-23(24)6-5-9-34-28;1-28-7-8-33-15-18(14-31-33)16-9-17(13-29-12-16)21-11-24(22-10-19(26)4-5-23(22)27)32-25-20(21)3-2-6-30-25;20-12-6-11(9-23-10-12)15-8-18(16-7-13(21)3-4-17(16)22)25-19-14(15)2-1-5-24-19;1-15(2,3)23-14(22)20(8)9-10-21-12-13(11-19-21)18-24-16(4,5)17(6,7)25-18;/h5-9,12-18H,10-11H2,1-4H3;2-6,9-15,28H,7-8H2,1H3;1-10H;11-12H,9-10H2,1-8H3;1H4
• InChIKey: OGXNIYLLSIYRPB-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 259.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.94
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane?

The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane (CID 159990765) is 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane.

What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane?

The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane is C.CN(CCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1)C(=O)OC(C)(C)C.CN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CNCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1.

What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane?

The InChIKey is OGXNIYLLSIYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN6O2.C25H20ClFN6.C19H10BrClFN3.C17H30BN3O4.CH4/c1-30(2,3)40-29(39)37(4)10-11-38-18-21(17-35-38)19-12-20(16-33-15-19)24-14-27(25-13-22(31)7-8-26(25)32)36-28-23(24)6-5-9-34-28;1-28-7-8-33-15-18(14-31-33)16-9-17(13-29-12-16)21-11-24(22-10-19(26)4-5-23(22)27)32-25-20(21)3-2-6-30-25;20-12-6-11(9-23-10-12)15-8-18(16-7-13(21)3-4-17(16)22)25-19-14(15)2-1-5-24-19;1-15(2,3)23-14(22)20(8)9-10-21-12-13(11-19-21)18-24-16(4,5)17(6,7)25-18;/h5-9,12-18H,10-11H2,1-4H3;2-6,9-15,28H,7-8H2,1H3;1-10H;11-12H,9-10H2,1-8H3;1H4.

What are the key properties of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane?

4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane has a molecular weight of 1799.94 g/mol, XLogP of 20.72, 18 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N-methylethanamine;methane is sourced from PubChem (CID 159990765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159990765 — identifiers, structure, computed properties (public domain)

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