2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

C16H11ClN6O2 — CID 154657052

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2nnc(C)o2)cc(Cl)n1
InChIInChI=1S/C16H11ClN6O2/c1-7-5-9(6-11(17)19-7)12-14(16-23-22-8(2)25-16)21-15-13(20-12)10(24)3-4-18-15/h3-6H,1-2H3,(H,18,21,24)
InChIKeyMEIHGUSVAUTGRX-UHFFFAOYSA-N
MW354.76 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657052) has the molecular formula C16H11ClN6O2 and a molecular weight of 354.76 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657052
Molecular FormulaC16H11ClN6O2
Molecular Weight354.76 g/mol
Exact Mass354.06
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2nnc(C)o2)cc(Cl)n1
InChIInChI=1S/C16H11ClN6O2/c1-7-5-9(6-11(17)19-7)12-14(16-23-22-8(2)25-16)21-15-13(20-12)10(24)3-4-18-15/h3-6H,1-2H3,(H,18,21,24)
InChIKeyMEIHGUSVAUTGRX-UHFFFAOYSA-N
XLogP2.70
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438212
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
CID 154656934
2-(3-chlorophenyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657088
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657574
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657380
7-(benzenesulfinylmethyl)-2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006971
2-(4-chloro-1,3-benzothiazol-6-yl)-3-(5-methylthiophen-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656681
6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438369
2-(8-chloro-3-methylquinolin-6-yl)-3-(1-methylpyrazol-3-yl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657537
3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154656504
3-[2-(7-chloro-2,3-dihydro-1,2-benzothiazol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154657423
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
CID 137438435

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657052) is 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is Cc1cc(-c2nc3c(=O)cc[nH]c3nc2-c2nnc(C)o2)cc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is MEIHGUSVAUTGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O2/c1-7-5-9(6-11(17)19-7)12-14(16-23-22-8(2)25-16)21-15-13(20-12)10(24)3-4-18-15/h3-6H,1-2H3,(H,18,21,24).
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 354.76 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methyl-4-pyridinyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).