N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide

C26H21ClN6O3S — CID 155007014

About N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide

N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide (PubChem CID 155007014) has the molecular formula C26H21ClN6O3S and a molecular weight of 533.01 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide
• PubChem CID: 155007014
• Molecular Formula: C26H21ClN6O3S
• Molecular Weight: 533.01 g/mol
• Exact Mass: 532.11
• IUPAC Name: N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NCc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)nc3c2=O)cn1
• InChI: InChI=1S/C26H21ClN6O3S/c1-15-8-9-20(14-28-15)37(35,36)30-13-19-12-29-26-24(25(19)34)32-23(18-10-16(2)31-21(27)11-18)22(33-26)17-6-4-3-5-7-17/h3-12,14,30H,13H2,1-2H3,(H,29,33,34)
• InChIKey: ZEDHSYITBSGGPH-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 130.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.01
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide?

The IUPAC name of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide (CID 155007014) is N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide.

What is the SMILES notation for N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide?

The canonical SMILES for N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide is Cc1ccc(S(=O)(=O)NCc2c[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(Cl)c4)nc3c2=O)cn1.

What is the InChIKey of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide?

The InChIKey is ZEDHSYITBSGGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O3S/c1-15-8-9-20(14-28-15)37(35,36)30-13-19-12-29-26-24(25(19)34)32-23(18-10-16(2)31-21(27)11-18)22(33-26)17-6-4-3-5-7-17/h3-12,14,30H,13H2,1-2H3,(H,29,33,34).

What are the key properties of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide?

N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 533.01 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]methyl]-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 155007014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).