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

C25H30ClFN6O2S — CID 44529865

IUPAC6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
SMILESCOc1ccc2ncc(F)c(CCN3CCC[C@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.Cl
InChIInChI=1S/C25H29FN6O2S.ClH/c1-34-23-7-5-20-24(31-23)18(19(26)13-28-20)8-10-32-9-2-3-16(14-32)11-27-12-17-4-6-21-25(29-17)30-22(33)15-35-21;/h4-7,13,16,27H,2-3,8-12,14-15H2,1H3,(H,29,30,33);1H/t16-;/m1./s1
InChIKeyMIOOKJDITRMOCG-PKLMIRHRSA-N
MW533.07 g/mol
LogP3.68
Rot. Bonds8

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

6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (PubChem CID 44529865) has the molecular formula C25H30ClFN6O2S and a molecular weight of 533.07 g/mol. Its IUPAC name is 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
PubChem CID44529865
Molecular FormulaC25H30ClFN6O2S
Molecular Weight533.07 g/mol
Exact Mass532.18
IUPAC Name6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
SMILESCOc1ccc2ncc(F)c(CCN3CCC[C@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.Cl
InChIInChI=1S/C25H29FN6O2S.ClH/c1-34-23-7-5-20-24(31-23)18(19(26)13-28-20)8-10-32-9-2-3-16(14-32)11-27-12-17-4-6-21-25(29-17)30-22(33)15-35-21;/h4-7,13,16,27H,2-3,8-12,14-15H2,1H3,(H,29,30,33);1H/t16-;/m1./s1
InChIKeyMIOOKJDITRMOCG-PKLMIRHRSA-N
XLogP3.68
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.07
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The IUPAC name of 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (CID 44529865) is 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.
What is the SMILES notation for 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The canonical SMILES for 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is COc1ccc2ncc(F)c(CCN3CCC[C@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1.Cl.
What is the InChIKey of 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The InChIKey is MIOOKJDITRMOCG-PKLMIRHRSA-N. The full InChI is InChI=1S/C25H29FN6O2S.ClH/c1-34-23-7-5-20-24(31-23)18(19(26)13-28-20)8-10-32-9-2-3-16(14-32)11-27-12-17-4-6-21-25(29-17)30-22(33)15-35-21;/h4-7,13,16,27H,2-3,8-12,14-15H2,1H3,(H,29,30,33);1H/t16-;/m1./s1.
What are the key properties of 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride has a molecular weight of 533.07 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is sourced from PubChem (CID 44529865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).