6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C26H28FN7O3S — CID 11519466

IUPAC6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CCN4C(=O)CN(Cc5ccc6c(n5)NC(=O)CS6)CC4C3)c2n1
InChIInChI=1S/C26H28FN7O3S/c1-37-23-5-3-20-25(31-23)18(19(27)10-28-20)6-7-32-8-9-34-17(12-32)13-33(14-24(34)36)11-16-2-4-21-26(29-16)30-22(35)15-38-21/h2-5,10,17H,6-9,11-15H2,1H3,(H,29,30,35)
InChIKeyHPYOIEYJFIOJFT-UHFFFAOYSA-N
MW537.62 g/mol
LogP1.79
Rot. Bonds6

About 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11519466) has the molecular formula C26H28FN7O3S and a molecular weight of 537.62 g/mol. Its IUPAC name is 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID11519466
Molecular FormulaC26H28FN7O3S
Molecular Weight537.62 g/mol
Exact Mass537.20
IUPAC Name6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CCN4C(=O)CN(Cc5ccc6c(n5)NC(=O)CS6)CC4C3)c2n1
InChIInChI=1S/C26H28FN7O3S/c1-37-23-5-3-20-25(31-23)18(19(27)10-28-20)6-7-32-8-9-34-17(12-32)13-33(14-24(34)36)11-16-2-4-21-26(29-16)30-22(35)15-38-21/h2-5,10,17H,6-9,11-15H2,1H3,(H,29,30,35)
InChIKeyHPYOIEYJFIOJFT-UHFFFAOYSA-N
XLogP1.79
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11519466) is 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(F)c(CCN3CCN4C(=O)CN(Cc5ccc6c(n5)NC(=O)CS6)CC4C3)c2n1.
What is the InChIKey of 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is HPYOIEYJFIOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O3S/c1-37-23-5-3-20-25(31-23)18(19(27)10-28-20)6-7-32-8-9-34-17(12-32)13-33(14-24(34)36)11-16-2-4-21-26(29-16)30-22(35)15-38-21/h2-5,10,17H,6-9,11-15H2,1H3,(H,29,30,35).
What are the key properties of 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 537.62 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11519466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).