2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide

C22H15ClN6O4S — CID 154657354

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide
SMILESCc1cc(-c2nc3c(=O)c(S(=O)(=O)Nc4cnoc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C22H15ClN6O4S/c1-12-7-14(8-17(23)26-12)19-18(13-5-3-2-4-6-13)28-22-20(27-19)21(30)16(10-24-22)34(31,32)29-15-9-25-33-11-15/h2-11,29H,1H3,(H,24,28,30)
InChIKeyWBKQUVUEHZAYGP-UHFFFAOYSA-N
MW494.92 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide

2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide (PubChem CID 154657354) has the molecular formula C22H15ClN6O4S and a molecular weight of 494.92 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide
PubChem CID154657354
Molecular FormulaC22H15ClN6O4S
Molecular Weight494.92 g/mol
Exact Mass494.06
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide
SMILESCc1cc(-c2nc3c(=O)c(S(=O)(=O)Nc4cnoc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C22H15ClN6O4S/c1-12-7-14(8-17(23)26-12)19-18(13-5-3-2-4-6-13)28-22-20(27-19)21(30)16(10-24-22)34(31,32)29-15-9-25-33-11-15/h2-11,29H,1H3,(H,24,28,30)
InChIKeyWBKQUVUEHZAYGP-UHFFFAOYSA-N
XLogP3.80
TPSA143.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide with MolForge

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Related Compounds

2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657380
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
7-(benzenesulfinylmethyl)-2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006971
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
CID 154656934
6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438945
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137439002
N-(1,2-oxazol-4-yl)-3-phenylthiophene-2-sulfonamide
CID 150217087
N-(1,2-oxazol-4-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62915805
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide (CID 154657354) is 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide is Cc1cc(-c2nc3c(=O)c(S(=O)(=O)Nc4cnoc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide?
The InChIKey is WBKQUVUEHZAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O4S/c1-12-7-14(8-17(23)26-12)19-18(13-5-3-2-4-6-13)28-22-20(27-19)21(30)16(10-24-22)34(31,32)29-15-9-25-33-11-15/h2-11,29H,1H3,(H,24,28,30).
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide?
2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide has a molecular weight of 494.92 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methyl-4-pyridinyl)-N-(1,2-oxazol-4-yl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-sulfonamide is sourced from PubChem (CID 154657354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).