4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine

C81H92B2BrCl2F2N15O6 — CID 159902914

About 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine

4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine (PubChem CID 159902914) has the molecular formula C81H92B2BrCl2F2N15O6 and a molecular weight of 1582.16 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine.

Molecular Properties

• Compound Name: 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine
• PubChem CID: 159902914
• Molecular Formula: C81H92B2BrCl2F2N15O6
• Molecular Weight: 1582.16 g/mol
• Exact Mass: 1579.61
• IUPAC Name: 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1.CN1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1
• InChI: InChI=1S/C28H24ClFN6.C19H32BN3O4.C19H10BrClFN3.C15H26BN3O2/c1-35-9-6-22(7-10-35)36-17-20(16-33-36)18-11-19(15-31-14-18)24-13-27(25-12-21(29)4-5-26(25)30)34-28-23(24)3-2-8-32-28;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;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;1-14(2)15(3,4)21-16(20-14)12-10-17-19(11-12)13-6-8-18(5)9-7-13/h2-5,8,11-17,22H,6-7,9-10H2,1H3;12-13,15H,8-11H2,1-7H3;1-10H;10-11,13H,6-9H2,1-5H3
• InChIKey: NWEQMEBSXQFRSL-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 203.74 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.16
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine?

The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine (CID 159902914) is 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine.

What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine?

The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine is CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)cn2)CC1.CN1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.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 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine?

The InChIKey is NWEQMEBSXQFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6.C19H32BN3O4.C19H10BrClFN3.C15H26BN3O2/c1-35-9-6-22(7-10-35)36-17-20(16-33-36)18-11-19(15-31-14-18)24-13-27(25-12-21(29)4-5-26(25)30)34-28-23(24)3-2-8-32-28;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;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;1-14(2)15(3,4)21-16(20-14)12-10-17-19(11-12)13-6-8-18(5)9-7-13/h2-5,8,11-17,22H,6-7,9-10H2,1H3;12-13,15H,8-11H2,1-7H3;1-10H;10-11,13H,6-9H2,1-5H3.

What are the key properties of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine?

4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine has a molecular weight of 1582.16 g/mol, XLogP of 16.40, 10 rotatable bonds, 0 hydrogen bond donors, and 20 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 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 159902914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).