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

C26H19ClFN5O3S — CID 154656939

IUPACN-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(-c2nc3c(=O)cc(CNS(=O)(=O)c4ccc(F)cc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C26H19ClFN5O3S/c1-15-11-17(12-22(27)30-15)24-23(16-5-3-2-4-6-16)33-26-25(32-24)21(34)13-19(31-26)14-29-37(35,36)20-9-7-18(28)8-10-20/h2-13,29H,14H2,1H3,(H,31,33,34)
InChIKeyFLYZHKHASKDNFX-UHFFFAOYSA-N
MW535.99 g/mol
LogP4.63
Rot. Bonds6

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

N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 154656939) has the molecular formula C26H19ClFN5O3S and a molecular weight of 535.99 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID154656939
Molecular FormulaC26H19ClFN5O3S
Molecular Weight535.99 g/mol
Exact Mass535.09
IUPAC NameN-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(-c2nc3c(=O)cc(CNS(=O)(=O)c4ccc(F)cc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C26H19ClFN5O3S/c1-15-11-17(12-22(27)30-15)24-23(16-5-3-2-4-6-16)33-26-25(32-24)21(34)13-19(31-26)14-29-37(35,36)20-9-7-18(28)8-10-20/h2-13,29H,14H2,1H3,(H,31,33,34)
InChIKeyFLYZHKHASKDNFX-UHFFFAOYSA-N
XLogP4.63
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.99
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-6-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide (CID 154656939) is N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide is Cc1cc(-c2nc3c(=O)cc(CNS(=O)(=O)c4ccc(F)cc4)[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is FLYZHKHASKDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O3S/c1-15-11-17(12-22(27)30-15)24-23(16-5-3-2-4-6-16)33-26-25(32-24)21(34)13-19(31-26)14-29-37(35,36)20-9-7-18(28)8-10-20/h2-13,29H,14H2,1H3,(H,31,33,34).
What are the key properties of N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 535.99 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-6-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 154656939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).