6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

C24H29ClN6O3S — CID 44527053

About 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (PubChem CID 44527053) has the molecular formula C24H29ClN6O3S and a molecular weight of 517.06 g/mol. Its IUPAC name is 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
• PubChem CID: 44527053
• Molecular Formula: C24H29ClN6O3S
• Molecular Weight: 517.06 g/mol
• Exact Mass: 516.17
• IUPAC Name: 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
• SMILES: COc1ccc2nccc(NCC3(O)CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.Cl
• InChI: InChI=1S/C24H28N6O3S.ClH/c1-33-21-5-3-17-22(30-21)18(8-11-25-17)27-14-24(32)9-6-15(7-10-24)26-12-16-2-4-19-23(28-16)29-20(31)13-34-19;/h2-5,8,11,15,26,32H,6-7,9-10,12-14H2,1H3,(H,25,27)(H,28,29,31);1H
• InChIKey: IQTMJLXGVFCHFC-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 121.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.06
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?

The IUPAC name of 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (CID 44527053) is 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.

What is the SMILES notation for 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?

The canonical SMILES for 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is COc1ccc2nccc(NCC3(O)CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.Cl.

What is the InChIKey of 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?

The InChIKey is IQTMJLXGVFCHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S.ClH/c1-33-21-5-3-17-22(30-21)18(8-11-25-17)27-14-24(32)9-6-15(7-10-24)26-12-16-2-4-19-23(28-16)29-20(31)13-34-19;/h2-5,8,11,15,26,32H,6-7,9-10,12-14H2,1H3,(H,25,27)(H,28,29,31);1H.

What are the key properties of 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?

6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride has a molecular weight of 517.06 g/mol, XLogP of 3.37, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is sourced from PubChem (CID 44527053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).