6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole

C24H29BrN6O2 — CID 161125947

About 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole

6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole (PubChem CID 161125947) has the molecular formula C24H29BrN6O2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole
• PubChem CID: 161125947
• Molecular Formula: C24H29BrN6O2
• Molecular Weight: 513.44 g/mol
• Exact Mass: 512.15
• IUPAC Name: 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole
• SMILES: Brc1ccc2c(n1)CCCN2.C.Cc1ncco1.c1coc(-c2ccc3c(n2)CCCN3)n1
• InChI: InChI=1S/C11H11N3O.C8H9BrN2.C4H5NO.CH4/c1-2-9-8(12-5-1)3-4-10(14-9)11-13-6-7-15-11;9-8-4-3-6-7(11-8)2-1-5-10-6;1-4-5-2-3-6-4;/h3-4,6-7,12H,1-2,5H2;3-4,10H,1-2,5H2;2-3H,1H3;1H4
• InChIKey: ULODFHHDEYJXFV-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.44
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole?

The IUPAC name of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole (CID 161125947) is 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole.

What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole?

The canonical SMILES for 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole is Brc1ccc2c(n1)CCCN2.C.Cc1ncco1.c1coc(-c2ccc3c(n2)CCCN3)n1.

What is the InChIKey of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole?

The InChIKey is ULODFHHDEYJXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C8H9BrN2.C4H5NO.CH4/c1-2-9-8(12-5-1)3-4-10(14-9)11-13-6-7-15-11;9-8-4-3-6-7(11-8)2-1-5-10-6;1-4-5-2-3-6-4;/h3-4,6-7,12H,1-2,5H2;3-4,10H,1-2,5H2;2-3H,1H3;1H4.

What are the key properties of 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole?

6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole has a molecular weight of 513.44 g/mol, XLogP of 5.92, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine;methane;2-methyl-1,3-oxazole;2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)-1,3-oxazole is sourced from PubChem (CID 161125947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).