6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C107H116B2Br6F2N20O12 — CID 157392379

About 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 157392379) has the molecular formula C107H116B2Br6F2N20O12 and a molecular weight of 2413.28 g/mol. Its IUPAC name is 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 157392379
• Molecular Formula: C107H116B2Br6F2N20O12
• Molecular Weight: 2413.28 g/mol
• Exact Mass: 2406.43
• IUPAC Name: 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1cncc(-c2cnc3c(c2)CCCN3)c1.Brc1cncc(Br)c1.CC(C)(C)OC(=O)N1CCCc2cc(-c3cncc(Br)c3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.NC(=O)N1CCCc2cc(-c3cncc(-c4ccc(F)cc4)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(Br)n3)cnc21.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C20H17FN4O.C19H29BN2O4.C18H20BrN3O2.C13H12BrN5O.C13H12BrN3.C13H17BrN2O2.C6H6BFO2.C5H3Br2N/c21-18-5-3-13(4-6-18)15-9-16(11-23-10-15)17-8-14-2-1-7-25(20(22)26)19(14)24-12-17;1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-18(2,3)24-17(23)22-6-4-5-12-7-13(10-21-16(12)22)14-8-15(19)11-20-9-14;14-11-7-16-6-10(18-11)9-4-8-2-1-3-19(13(15)20)12(8)17-5-9;14-12-5-11(6-15-8-12)10-4-9-2-1-3-16-13(9)17-7-10;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16;8-6-3-1-5(2-4-6)7(9)10;6-4-1-5(7)3-8-2-4/h3-6,8-12H,1-2,7H2,(H2,22,26);11-12H,8-10H2,1-7H3;7-11H,4-6H2,1-3H3;4-7H,1-3H2,(H2,15,20);4-8H,1-3H2,(H,16,17);7-8H,4-6H2,1-3H3;1-4,9-10H;1-3H
• InChIKey: BMDSLUNWSQWUHU-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 406.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 7
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.28
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 157392379) is 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1cncc(-c2cnc3c(c2)CCCN3)c1.Brc1cncc(Br)c1.CC(C)(C)OC(=O)N1CCCc2cc(-c3cncc(Br)c3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.NC(=O)N1CCCc2cc(-c3cncc(-c4ccc(F)cc4)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(Br)n3)cnc21.OB(O)c1ccc(F)cc1.

What is the InChIKey of 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is BMDSLUNWSQWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O.C19H29BN2O4.C18H20BrN3O2.C13H12BrN5O.C13H12BrN3.C13H17BrN2O2.C6H6BFO2.C5H3Br2N/c21-18-5-3-13(4-6-18)15-9-16(11-23-10-15)17-8-14-2-1-7-25(20(22)26)19(14)24-12-17;1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-18(2,3)24-17(23)22-6-4-5-12-7-13(10-21-16(12)22)14-8-15(19)11-20-9-14;14-11-7-16-6-10(18-11)9-4-8-2-1-3-19(13(15)20)12(8)17-5-9;14-12-5-11(6-15-8-12)10-4-9-2-1-3-16-13(9)17-7-10;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16;8-6-3-1-5(2-4-6)7(9)10;6-4-1-5(7)3-8-2-4/h3-6,8-12H,1-2,7H2,(H2,22,26);11-12H,8-10H2,1-7H3;7-11H,4-6H2,1-3H3;4-7H,1-3H2,(H2,15,20);4-8H,1-3H2,(H,16,17);7-8H,4-6H2,1-3H3;1-4,9-10H;1-3H.

What are the key properties of 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 2413.28 g/mol, XLogP of 22.48, 7 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-bromopyrazin-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-bromo-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;6-[5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 157392379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).