2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one

C22H15ClN4O — CID 154657380

IUPAC2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESC#CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)nc2c1=O
InChIInChI=1S/C22H15ClN4O/c1-3-7-15-12-24-22-20(21(15)28)26-19(16-10-13(2)25-17(23)11-16)18(27-22)14-8-5-4-6-9-14/h1,4-6,8-12H,7H2,2H3,(H,24,27,28)
InChIKeyZLSKLERKEYTNDE-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.18
Rot. Bonds3

About 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one

2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154657380) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154657380
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESC#CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)nc2c1=O
InChIInChI=1S/C22H15ClN4O/c1-3-7-15-12-24-22-20(21(15)28)26-19(16-10-13(2)25-17(23)11-16)18(27-22)14-8-5-4-6-9-14/h1,4-6,8-12H,7H2,2H3,(H,24,27,28)
InChIKeyZLSKLERKEYTNDE-UHFFFAOYSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one with MolForge

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Related Compounds

7-(benzenesulfinylmethyl)-2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006971
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
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
6-(2-chloro-6-methyl-4-pyridinyl)-3-[(4-methylphenyl)methyl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137439002
6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438945
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-carbaldehyde;ethane;N-[(3-methylphenyl)methylsulfanyl]methanamine
CID 154657123
2-(2-chloro-6-methyl-4-pyridinyl)-8-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazine-6-carbaldehyde
CID 154656934
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-6-pyridin-3-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657574
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656926
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
6-(2-chloro-6-methyl-4-pyridinyl)-2-(phenoxymethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438387

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 154657380) is 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one is C#CCc1c[nH]c2nc(-c3ccccc3)c(-c3cc(C)nc(Cl)c3)nc2c1=O.
What is the InChIKey of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is ZLSKLERKEYTNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-3-7-15-12-24-22-20(21(15)28)26-19(16-10-13(2)25-17(23)11-16)18(27-22)14-8-5-4-6-9-14/h1,4-6,8-12H,7H2,2H3,(H,24,27,28).
What are the key properties of 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 386.84 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methyl-4-pyridinyl)-3-phenyl-7-prop-2-ynyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154657380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).