4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

C26H32N4O3S — CID 54739605

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 54739605) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
• PubChem CID: 54739605
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
• SMILES: COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCN(c3ccccn3)CC2)c1=O
• InChI: InChI=1S/C26H32N4O3S/c1-19-18-22(31)24(26(32)30(19)16-17-33-2)25(20-7-9-21(34-3)10-8-20)29-14-12-28(13-15-29)23-6-4-5-11-27-23/h4-11,18,25,31H,12-17H2,1-3H3/t25-/m1/s1
• InChIKey: KMRFHQDDCALYBL-RUZDIDTESA-N
• XLogP: 3.54
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one (CID 54739605) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCN(c3ccccn3)CC2)c1=O.

What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

The InChIKey is KMRFHQDDCALYBL-RUZDIDTESA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-19-18-22(31)24(26(32)30(19)16-17-33-2)25(20-7-9-21(34-3)10-8-20)29-14-12-28(13-15-29)23-6-4-5-11-27-23/h4-11,18,25,31H,12-17H2,1-3H3/t25-/m1/s1.

What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one?

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 480.63 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54739605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).