6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C₂₄H₂₇FN₆O₂S — CID 10174208

About 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 10174208) has the molecular formula C₂₄H₂₇FN₆O₂S and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

• Compound Name: 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• PubChem CID: 10174208
• Molecular Formula: C₂₄H₂₇FN₆O₂S
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.19
• IUPAC Name: 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• SMILES: COc1ccc2nccc(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](F)C3)c2n1
• InChI: InChI=1S/C24H27FN6O2S/c1-33-22-5-3-19-23(30-22)15(6-9-26-19)7-10-31-11-8-18(17(25)13-31)27-12-16-2-4-20-24(28-16)29-21(32)14-34-20/h2-6,9,17-18,27H,7-8,10-14H2,1H3,(H,28,29,32)/t17-,18+/m0/s1
• InChIKey: DAUHOSXWTKANFE-ZWKOTPCHSA-N
• XLogP: 2.82
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 10174208) is 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

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

The canonical SMILES for 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](F)C3)c2n1.

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

The InChIKey is DAUHOSXWTKANFE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-33-22-5-3-19-23(30-22)15(6-9-26-19)7-10-31-11-8-18(17(25)13-31)27-12-16-2-4-20-24(28-16)29-21(32)14-34-20/h2-6,9,17-18,27H,7-8,10-14H2,1H3,(H,28,29,32)/t17-,18+/m0/s1.

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

6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 482.59 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[(3S,4R)-3-fluoro-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 10174208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10174208 — identifiers, structure, computed properties (public domain)

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