5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

C23H22N6O3 — CID 139409482

IUPAC5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cc(OC)cc(-c2nc(-c3nc(-c4cncc(C)c4)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/C23H22N6O3/c1-13-5-15(10-25-9-13)18-11-26-22(24)21(27-18)19-12-29(2)23(30)20(28-19)14-6-16(31-3)8-17(7-14)32-4/h5-12H,1-4H3,(H2,24,26)
InChIKeyKHXTZWVVULVETC-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.87
Rot. Bonds5

About 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one

5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (PubChem CID 139409482) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
PubChem CID139409482
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cc(OC)cc(-c2nc(-c3nc(-c4cncc(C)c4)cnc3N)cn(C)c2=O)c1
InChIInChI=1S/C23H22N6O3/c1-13-5-15(10-25-9-13)18-11-26-22(24)21(27-18)19-12-29(2)23(30)20(28-19)14-6-16(31-3)8-17(7-14)32-4/h5-12H,1-4H3,(H2,24,26)
InChIKeyKHXTZWVVULVETC-UHFFFAOYSA-N
XLogP2.87
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one with MolForge

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Related Compounds

5-[3-amino-6-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one;5-[3-amino-6-[5-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 159323280
bis(5-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one);molecular iodine;hydrochloride;hydroiodide
CID 167647605
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
5-[3-amino-6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-3-(2-chloro-3,5-dimethoxyphenyl)-1-methylpyrazin-2-one
CID 155394926
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
CID 129066718
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066816
methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate
CID 66687074
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione
CID 175169311
5-(5-fluoro-3-pyridinyl)-3-methoxypyrazin-2-amine
CID 138498748
3-N-[2-(dimethylamino)ethyl]-5-(5-methoxy-3-pyridinyl)pyrazine-2,3-diamine
CID 126473458
7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one
CID 135180205

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The IUPAC name of 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one (CID 139409482) is 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The canonical SMILES for 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is COc1cc(OC)cc(-c2nc(-c3nc(-c4cncc(C)c4)cnc3N)cn(C)c2=O)c1.
What is the InChIKey of 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
The InChIKey is KHXTZWVVULVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-13-5-15(10-25-9-13)18-11-26-22(24)21(27-18)19-12-29(2)23(30)20(28-19)14-6-16(31-3)8-17(7-14)32-4/h5-12H,1-4H3,(H2,24,26).
What are the key properties of 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one?
5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one has a molecular weight of 430.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-6-(5-methyl-3-pyridinyl)pyrazin-2-yl]-3-(3,5-dimethoxyphenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 139409482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).