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

C23H26FN7O2S — CID 44528524

IUPAC6-[[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
SMILESCOc1nc2c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)ccnc2cc1F
InChIInChI=1S/C23H26FN7O2S/c1-33-23-16(24)12-17-21(29-23)18(4-5-26-17)31-10-8-30(9-11-31)7-6-25-13-15-2-3-19-22(27-15)28-20(32)14-34-19/h2-5,12,25H,6-11,13-14H2,1H3,(H,27,28,32)
InChIKeyJQNDORQAKYWGGT-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.13
Rot. Bonds7

About 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

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 (PubChem CID 44528524) has the molecular formula C23H26FN7O2S and a molecular weight of 483.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID44528524
Molecular FormulaC23H26FN7O2S
Molecular Weight483.57 g/mol
Exact Mass483.19
IUPAC Name6-[[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
SMILESCOc1nc2c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)ccnc2cc1F
InChIInChI=1S/C23H26FN7O2S/c1-33-23-16(24)12-17-21(29-23)18(4-5-26-17)31-10-8-30(9-11-31)7-6-25-13-15-2-3-19-22(27-15)28-20(32)14-34-19/h2-5,12,25H,6-11,13-14H2,1H3,(H,27,28,32)
InChIKeyJQNDORQAKYWGGT-UHFFFAOYSA-N
XLogP2.13
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc2c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)ccnc2cc1F.
What is the InChIKey of 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?
The InChIKey is JQNDORQAKYWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2S/c1-33-23-16(24)12-17-21(29-23)18(4-5-26-17)31-10-8-30(9-11-31)7-6-25-13-15-2-3-19-22(27-15)28-20(32)14-34-19/h2-5,12,25H,6-11,13-14H2,1H3,(H,27,28,32).
What are the key properties of 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?
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 has a molecular weight of 483.57 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 44528524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).