6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C24H26F2N6O2S — CID 68576748

IUPAC6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CC(F)C(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C24H26F2N6O2S/c1-34-22-5-3-19-23(31-22)16(17(25)10-28-19)6-7-32-11-14(18(26)12-32)8-27-9-15-2-4-20-24(29-15)30-21(33)13-35-20/h2-5,10,14,18,27H,6-9,11-13H2,1H3,(H,29,30,33)
InChIKeyLZBFNJSVOZJYJY-UHFFFAOYSA-N
MW500.58 g/mol
LogP2.82
Rot. Bonds8

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

6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 68576748) has the molecular formula C24H26F2N6O2S and a molecular weight of 500.58 g/mol. Its IUPAC name is 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID68576748
Molecular FormulaC24H26F2N6O2S
Molecular Weight500.58 g/mol
Exact Mass500.18
IUPAC Name6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2ncc(F)c(CCN3CC(F)C(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1
InChIInChI=1S/C24H26F2N6O2S/c1-34-22-5-3-19-23(31-22)16(17(25)10-28-19)6-7-32-11-14(18(26)12-32)8-27-9-15-2-4-20-24(29-15)30-21(33)13-35-20/h2-5,10,14,18,27H,6-9,11-13H2,1H3,(H,29,30,33)
InChIKeyLZBFNJSVOZJYJY-UHFFFAOYSA-N
XLogP2.82
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]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-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 68576748) is 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(F)c(CCN3CC(F)C(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.
What is the InChIKey of 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is LZBFNJSVOZJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2S/c1-34-22-5-3-19-23(31-22)16(17(25)10-28-19)6-7-32-11-14(18(26)12-32)8-27-9-15-2-4-20-24(29-15)30-21(33)13-35-20/h2-5,10,14,18,27H,6-9,11-13H2,1H3,(H,29,30,33).
What are the key properties of 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 500.58 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-fluoro-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 68576748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).