7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine

C28H22BrClN8O — CID 162131218

About 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine

7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine (PubChem CID 162131218) has the molecular formula C28H22BrClN8O and a molecular weight of 601.90 g/mol. Its IUPAC name is 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
• PubChem CID: 162131218
• Molecular Formula: C28H22BrClN8O
• Molecular Weight: 601.90 g/mol
• Exact Mass: 600.08
• IUPAC Name: 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
• SMILES: COc1cncc(Nc2ccc3ncc(Nc4cncc(C)c4)cc3n2)c1.Clc1ccc2ncc(Br)cc2n1
• InChI: InChI=1S/C20H18N6O.C8H4BrClN2/c1-13-5-14(9-21-8-13)24-16-7-19-18(23-11-16)3-4-20(26-19)25-15-6-17(27-2)12-22-10-15;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h3-12,24H,1-2H3,(H,25,26);1-4H
• InChIKey: ZIRNCJHRCWLIHT-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 110.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.90
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?

The IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine (CID 162131218) is 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine.

What is the SMILES notation for 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?

The canonical SMILES for 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine is COc1cncc(Nc2ccc3ncc(Nc4cncc(C)c4)cc3n2)c1.Clc1ccc2ncc(Br)cc2n1.

What is the InChIKey of 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?

The InChIKey is ZIRNCJHRCWLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C8H4BrClN2/c1-13-5-14(9-21-8-13)24-16-7-19-18(23-11-16)3-4-20(26-19)25-15-6-17(27-2)12-22-10-15;9-5-3-7-6(11-4-5)1-2-8(10)12-7/h3-12,24H,1-2H3,(H,25,26);1-4H.

What are the key properties of 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?

7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 601.90 g/mol, XLogP of 7.27, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-1,5-naphthyridine;2-N-(5-methoxy-3-pyridinyl)-7-N-(5-methyl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 162131218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).