2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one

C24H16ClN5O — CID 154657574

About 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one

2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657574) has the molecular formula C24H16ClN5O and a molecular weight of 425.88 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

• Compound Name: 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one
• PubChem CID: 154657574
• Molecular Formula: C24H16ClN5O
• Molecular Weight: 425.88 g/mol
• Exact Mass: 425.10
• IUPAC Name: 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one
• SMILES: Cc1cc(-c2nc3c(=O)cc(-c4cccnc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1
• InChI: InChI=1S/C24H16ClN5O/c1-14-10-17(11-20(25)27-14)22-21(15-6-3-2-4-7-15)30-24-23(29-22)19(31)12-18(28-24)16-8-5-9-26-13-16/h2-13H,1H3,(H,28,30,31)
• InChIKey: BZKPKTTUYZNMNC-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.88
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one?

The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657574) is 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one.

What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one?

The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one is Cc1cc(-c2nc3c(=O)cc(-c4cccnc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1.

What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one?

The InChIKey is BZKPKTTUYZNMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O/c1-14-10-17(11-20(25)27-14)22-21(15-6-3-2-4-7-15)30-24-23(29-22)19(31)12-18(28-24)16-8-5-9-26-13-16/h2-13H,1H3,(H,28,30,31).

What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one?

2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 425.88 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).