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

C23H24FN5O5S — CID 164785100

IUPAC6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C23H24FN5O5S/c1-32-20-5-3-16-21(29-20)14(15(24)8-26-16)6-17(30)23-33-9-13(10-34-23)25-7-12-2-4-18-22(27-12)28-19(31)11-35-18/h2-5,8,13,17,23,25,30H,6-7,9-11H2,1H3,(H,27,28,31)/t13?,17-,23?/m0/s1
InChIKeyBBUBVXDSFWSPLW-KIJZMDSKSA-N
MW501.54 g/mol
LogP1.65
Rot. Bonds7

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

6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 164785100) has the molecular formula C23H24FN5O5S and a molecular weight of 501.54 g/mol. Its IUPAC name is 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID164785100
Molecular FormulaC23H24FN5O5S
Molecular Weight501.54 g/mol
Exact Mass501.15
IUPAC Name6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C23H24FN5O5S/c1-32-20-5-3-16-21(29-20)14(15(24)8-26-16)6-17(30)23-33-9-13(10-34-23)25-7-12-2-4-18-22(27-12)28-19(31)11-35-18/h2-5,8,13,17,23,25,30H,6-7,9-11H2,1H3,(H,27,28,31)/t13?,17-,23?/m0/s1
InChIKeyBBUBVXDSFWSPLW-KIJZMDSKSA-N
XLogP1.65
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 164785100) is 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1.
What is the InChIKey of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is BBUBVXDSFWSPLW-KIJZMDSKSA-N. The full InChI is InChI=1S/C23H24FN5O5S/c1-32-20-5-3-16-21(29-20)14(15(24)8-26-16)6-17(30)23-33-9-13(10-34-23)25-7-12-2-4-18-22(27-12)28-19(31)11-35-18/h2-5,8,13,17,23,25,30H,6-7,9-11H2,1H3,(H,27,28,31)/t13?,17-,23?/m0/s1.
What are the key properties of 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 501.54 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 164785100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).