4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine

C60H60BBrCl2F2N12O2 — CID 160752097

About 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine

4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine (PubChem CID 160752097) has the molecular formula C60H60BBrCl2F2N12O2 and a molecular weight of 1180.84 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

• Compound Name: 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine
• PubChem CID: 160752097
• Molecular Formula: C60H60BBrCl2F2N12O2
• Molecular Weight: 1180.84 g/mol
• Exact Mass: 1178.36
• IUPAC Name: 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine
• SMILES: CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.CN(C)CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1
• InChI: InChI=1S/C27H24ClFN6.C19H10BrClFN3.C14H26BN3O2/c1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;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;1-13(2)14(3,4)20-15(19-13)12-10-16-18(11-12)9-7-8-17(5)6/h3,5-8,11-17H,4,9-10H2,1-2H3;1-10H;10-11H,7-9H2,1-6H3
• InChIKey: RWYQPFFXVJJKAG-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 137.92 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.84
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine?

The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine (CID 160752097) is 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine.

What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine?

The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine is CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.CN(C)CCCn1cc(B2OC(C)(C)C(C)(C)O2)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;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine?

The InChIKey is RWYQPFFXVJJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6.C19H10BrClFN3.C14H26BN3O2/c1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;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;1-13(2)14(3,4)20-15(19-13)12-10-16-18(11-12)9-7-8-17(5)6/h3,5-8,11-17H,4,9-10H2,1-2H3;1-10H;10-11H,7-9H2,1-6H3.

What are the key properties of 4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine?

4-(5-bromo-3-pyridinyl)-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine has a molecular weight of 1180.84 g/mol, XLogP of 13.01, 14 rotatable bonds, 0 hydrogen bond donors, and 14 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;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;N,N-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 160752097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).