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

C23H25N5O4S — CID 11532848

IUPAC6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C23H25N5O4S/c1-30-21-7-5-17-22(28-21)18(8-9-24-17)32-12-16-4-2-15(11-31-16)25-10-14-3-6-19-23(26-14)27-20(29)13-33-19/h3,5-9,15-16,25H,2,4,10-13H2,1H3,(H,26,27,29)/t15-,16+/m1/s1
InChIKeyWCUIUMSVLSFGOF-CVEARBPZSA-N
MW467.55 g/mol
LogP2.79
Rot. Bonds7

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

6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11532848) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID11532848
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C23H25N5O4S/c1-30-21-7-5-17-22(28-21)18(8-9-24-17)32-12-16-4-2-15(11-31-16)25-10-14-3-6-19-23(26-14)27-20(29)13-33-19/h3,5-9,15-16,25H,2,4,10-13H2,1H3,(H,26,27,29)/t15-,16+/m1/s1
InChIKeyWCUIUMSVLSFGOF-CVEARBPZSA-N
XLogP2.79
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11362597
(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide
CID 11518618
4-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one
CID 24866867
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44528524
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44594177
1-[(2S)-2-[(2S,5R)-5-(2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
CID 46917714
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11532848) is 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is WCUIUMSVLSFGOF-CVEARBPZSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-30-21-7-5-17-22(28-21)18(8-9-24-17)32-12-16-4-2-15(11-31-16)25-10-14-3-6-19-23(26-14)27-20(29)13-33-19/h3,5-9,15-16,25H,2,4,10-13H2,1H3,(H,26,27,29)/t15-,16+/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 467.55 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11532848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).