6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one

C26H38N6O3S3 — CID 158550425

IUPAC6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCOc1ccc2c(n1)N(CCSC)C(C)(C)C(=O)N2.COc1ccc2c(n1)N(CCSC)C(C)(C)C(=S)N2
InChIInChI=1S/C13H19N3O2S.C13H19N3OS2/c1-13(2)12(17)14-9-5-6-10(18-3)15-11(9)16(13)7-8-19-4;1-13(2)12(18)14-9-5-6-10(17-3)15-11(9)16(13)7-8-19-4/h5-6H,7-8H2,1-4H3,(H,14,17);5-6H,7-8H2,1-4H3,(H,14,18)
InChIKeyHPQMDTUTVRMNFQ-UHFFFAOYSA-N
MW578.83 g/mol
LogP4.78
Rot. Bonds8

About 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one

6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 158550425) has the molecular formula C26H38N6O3S3 and a molecular weight of 578.83 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID158550425
Molecular FormulaC26H38N6O3S3
Molecular Weight578.83 g/mol
Exact Mass578.22
IUPAC Name6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCOc1ccc2c(n1)N(CCSC)C(C)(C)C(=O)N2.COc1ccc2c(n1)N(CCSC)C(C)(C)C(=S)N2
InChIInChI=1S/C13H19N3O2S.C13H19N3OS2/c1-13(2)12(17)14-9-5-6-10(18-3)15-11(9)16(13)7-8-19-4;1-13(2)12(18)14-9-5-6-10(17-3)15-11(9)16(13)7-8-19-4/h5-6H,7-8H2,1-4H3,(H,14,17);5-6H,7-8H2,1-4H3,(H,14,18)
InChIKeyHPQMDTUTVRMNFQ-UHFFFAOYSA-N
XLogP4.78
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.83
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
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4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 113286554
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004
4,12-dimethoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 115323552
2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid
CID 171497257
7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
CID 115323681
13-methoxy-7-methyl-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 82763731
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875
6,6-dimethyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79224358
3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
CID 53414723
4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 115322427

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one (CID 158550425) is 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one is COc1ccc2c(n1)N(CCSC)C(C)(C)C(=O)N2.COc1ccc2c(n1)N(CCSC)C(C)(C)C(=S)N2.
What is the InChIKey of 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is HPQMDTUTVRMNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.C13H19N3OS2/c1-13(2)12(17)14-9-5-6-10(18-3)15-11(9)16(13)7-8-19-4;1-13(2)12(18)14-9-5-6-10(17-3)15-11(9)16(13)7-8-19-4/h5-6H,7-8H2,1-4H3,(H,14,17);5-6H,7-8H2,1-4H3,(H,14,18).
What are the key properties of 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one?
6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 578.83 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazine-2-thione;6-methoxy-3,3-dimethyl-4-(2-methylsulfanylethyl)-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 158550425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).