4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C89H86BBrF3N15O7 — CID 158516222

About 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158516222) has the molecular formula C89H86BBrF3N15O7 and a molecular weight of 1625.47 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158516222
• Molecular Formula: C89H86BBrF3N15O7
• Molecular Weight: 1625.47 g/mol
• Exact Mass: 1623.61
• IUPAC Name: 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C.CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCOC4CCCCO4)c3)c2)c2cccnc2n1.Fc1ccccc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1.OCCn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cn1
• InChI: InChI=1S/C29H26FN5O2.C24H18FN5O.C19H11BrFN3.C16H27BN2O4.CH4/c30-26-8-2-1-6-24(26)27-15-25(23-7-5-10-32-29(23)34-27)21-14-20(16-31-17-21)22-18-33-35(19-22)11-13-37-28-9-3-4-12-36-28;25-22-6-2-1-4-20(22)23-11-21(19-5-3-7-27-24(19)29-23)17-10-16(12-26-13-17)18-14-28-30(15-18)8-9-31;20-13-8-12(10-22-11-13)16-9-18(15-4-1-2-6-17(15)21)24-19-14(16)5-3-7-23-19;1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14;/h1-2,5-8,10,14-19,28H,3-4,9,11-13H2;1-7,10-15,31H,8-9H2;1-11H;11-12,14H,5-10H2,1-4H3;1H4
• InChIKey: HLQRSBBWJMYDRZ-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 245.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.47
LogP ≤ 5	17.88
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-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158516222) is 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C.CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C.Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCOC4CCCCO4)c3)c2)c2cccnc2n1.Fc1ccccc1-c1cc(-c2cncc(Br)c2)c2cccnc2n1.OCCn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cn1.

What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is HLQRSBBWJMYDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2.C24H18FN5O.C19H11BrFN3.C16H27BN2O4.CH4/c30-26-8-2-1-6-24(26)27-15-25(23-7-5-10-32-29(23)34-27)21-14-20(16-31-17-21)22-18-33-35(19-22)11-13-37-28-9-3-4-12-36-28;25-22-6-2-1-4-20(22)23-11-21(19-5-3-7-27-24(19)29-23)17-10-16(12-26-13-17)18-14-28-30(15-18)8-9-31;20-13-8-12(10-22-11-13)16-9-18(15-4-1-2-6-17(15)21)24-19-14(16)5-3-7-23-19;1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14;/h1-2,5-8,10,14-19,28H,3-4,9,11-13H2;1-7,10-15,31H,8-9H2;1-11H;11-12,14H,5-10H2,1-4H3;1H4.

What are the key properties of 4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

4-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1625.47 g/mol, XLogP of 17.88, 19 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-(2-fluorophenyl)-1,8-naphthyridine;2-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethanol;2-(2-fluorophenyl)-4-[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;methane;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158516222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).