7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C38H42BBrCl2N8O4 — CID 159741505

About 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159741505) has the molecular formula C38H42BBrCl2N8O4 and a molecular weight of 836.43 g/mol. Its IUPAC name is 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159741505
• Molecular Formula: C38H42BBrCl2N8O4
• Molecular Weight: 836.43 g/mol
• Exact Mass: 834.20
• IUPAC Name: 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.Clc1ccc2ncc(-c3cnn(C4CCCCO4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1
• InChI: InChI=1S/C16H15ClN4O.C14H23BN2O3.C8H4BrClN2/c17-15-5-4-13-14(20-15)7-11(8-18-13)12-9-19-21(10-12)16-3-1-2-6-22-16;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h4-5,7-10,16H,1-3,6H2;9-10,12H,5-8H2,1-4H3;1-4H
• InChIKey: NCNBFWRQVRTDMZ-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 124.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	836.43
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159741505) is 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.Clc1ccc2ncc(-c3cnn(C4CCCCO4)c3)cc2n1.Clc1ccc2ncc(Br)cc2n1.

What is the InChIKey of 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is NCNBFWRQVRTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O.C14H23BN2O3.C8H4BrClN2/c17-15-5-4-13-14(20-15)7-11(8-18-13)12-9-19-21(10-12)16-3-1-2-6-22-16;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h4-5,7-10,16H,1-3,6H2;9-10,12H,5-8H2,1-4H3;1-4H.

What are the key properties of 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 836.43 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-1,5-naphthyridine;2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159741505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).