6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C23H24FN7O3S — CID 11670504

About 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11670504) has the molecular formula C23H24FN7O3S and a molecular weight of 497.56 g/mol. Its IUPAC name is 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

• Compound Name: 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• PubChem CID: 11670504
• Molecular Formula: C23H24FN7O3S
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.16
• IUPAC Name: 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• SMILES: COc1ccc2ncc(F)c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3=O)c2n1
• InChI: InChI=1S/C23H24FN7O3S/c1-34-19-5-3-16-21(29-19)22(15(24)11-26-16)31-9-8-30(12-20(31)33)7-6-25-10-14-2-4-17-23(27-14)28-18(32)13-35-17/h2-5,11,25H,6-10,12-13H2,1H3,(H,27,28,32)
• InChIKey: DGNBIPRPOJSDPV-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 112.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The IUPAC name of 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11670504) is 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

What is the SMILES notation for 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The canonical SMILES for 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(F)c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3=O)c2n1.

What is the InChIKey of 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The InChIKey is DGNBIPRPOJSDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3S/c1-34-19-5-3-16-21(29-19)22(15(24)11-26-16)31-9-8-30(12-20(31)33)7-6-25-10-14-2-4-17-23(27-14)28-18(32)13-35-17/h2-5,11,25H,6-10,12-13H2,1H3,(H,27,28,32).

What are the key properties of 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 497.56 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11670504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).