8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one

C15H14N4O2S — CID 46901092

IUPAC8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCSc1cc(Oc2ccnc3[nH]c(=O)c(C)nc23)ccc1N
InChIInChI=1S/C15H14N4O2S/c1-8-15(20)19-14-13(18-8)11(5-6-17-14)21-9-3-4-10(16)12(7-9)22-2/h3-7H,16H2,1-2H3,(H,17,19,20)
InChIKeyJFYCPCAUPLVOJE-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.72
Rot. Bonds3

About 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one

8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 46901092) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID46901092
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCSc1cc(Oc2ccnc3[nH]c(=O)c(C)nc23)ccc1N
InChIInChI=1S/C15H14N4O2S/c1-8-15(20)19-14-13(18-8)11(5-6-17-14)21-9-3-4-10(16)12(7-9)22-2/h3-7H,16H2,1-2H3,(H,17,19,20)
InChIKeyJFYCPCAUPLVOJE-UHFFFAOYSA-N
XLogP2.72
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
CID 155586197
[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamic acid;hydrochloride
CID 163210137
2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one
CID 46901095
ethyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586262
8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one
CID 162556816
benzyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586385
7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 45140141
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 160815717
1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168082
4-(4-amino-3-methylsulfanylphenyl)-2-methylsulfanylaniline
CID 21327477
2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 14916649
tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
CID 147706697

Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one (CID 46901092) is 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one is CSc1cc(Oc2ccnc3[nH]c(=O)c(C)nc23)ccc1N.
What is the InChIKey of 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is JFYCPCAUPLVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-15(20)19-14-13(18-8)11(5-6-17-14)21-9-3-4-10(16)12(7-9)22-2/h3-7H,16H2,1-2H3,(H,17,19,20).
What are the key properties of 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one?
8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 314.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-amino-3-methylsulfanylphenoxy)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 46901092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).