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

IUPAC6-[[[(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
SMILESCOc1ccc2nccc(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](F)C3)c2n1
InChIInChI=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
InChIKeyDAUHOSXWTKANFE-ZWKOTPCHSA-N
MW482.59 g/mol
LogP2.82
Rot. Bonds7

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 Name6-[[[(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 CID10174208
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC Name6-[[[(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
SMILESCOc1ccc2nccc(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](F)C3)c2n1
InChIInChI=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
InChIKeyDAUHOSXWTKANFE-ZWKOTPCHSA-N
XLogP2.82
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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).