3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C25H29ClN4O3 — CID 54739531

IUPAC3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O
InChIInChI=1S/C25H29ClN4O3/c1-18-17-21(31)23(25(32)30(18)15-16-33-2)24(19-7-3-4-8-20(19)26)29-13-11-28(12-14-29)22-9-5-6-10-27-22/h3-10,17,24,31H,11-16H2,1-2H3/t24-/m1/s1
InChIKeyYNALBDIQPJHDBV-XMMPIXPASA-N
MW468.99 g/mol
LogP3.47
Rot. Bonds7

About 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54739531) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54739531
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O
InChIInChI=1S/C25H29ClN4O3/c1-18-17-21(31)23(25(32)30(18)15-16-33-2)24(19-7-3-4-8-20(19)26)29-13-11-28(12-14-29)22-9-5-6-10-27-22/h3-10,17,24,31H,11-16H2,1-2H3/t24-/m1/s1
InChIKeyYNALBDIQPJHDBV-XMMPIXPASA-N
XLogP3.47
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one with MolForge

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Related Compounds

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54692667
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54739630
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54739605
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one
CID 54739615
3-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703761
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
3-[(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54692623
1-ethyl-3-[(R)-(3-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92762526
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]pyridin-2-one
CID 54692672
3-[(R)-(3-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739569

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54739531) is 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O.
What is the InChIKey of 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is YNALBDIQPJHDBV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-18-17-21(31)23(25(32)30(18)15-16-33-2)24(19-7-3-4-8-20(19)26)29-13-11-28(12-14-29)22-9-5-6-10-27-22/h3-10,17,24,31H,11-16H2,1-2H3/t24-/m1/s1.
What are the key properties of 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 468.99 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(2-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54739531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).