1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one

C22H25N5O2 — CID 58252605

IUPAC1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCc1ccc(N2CCN(Cc3ccn(Cc4ccccc4)c(=O)c3O)CC2)nn1
InChIInChI=1S/C22H25N5O2/c1-17-7-8-20(24-23-17)26-13-11-25(12-14-26)16-19-9-10-27(22(29)21(19)28)15-18-5-3-2-4-6-18/h2-10,28H,11-16H2,1H3
InChIKeyVFNPTEGLESRWDW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.02
Rot. Bonds5

About 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one

1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 58252605) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID58252605
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCc1ccc(N2CCN(Cc3ccn(Cc4ccccc4)c(=O)c3O)CC2)nn1
InChIInChI=1S/C22H25N5O2/c1-17-7-8-20(24-23-17)26-13-11-25(12-14-26)16-19-9-10-27(22(29)21(19)28)15-18-5-3-2-4-6-18/h2-10,28H,11-16H2,1H3
InChIKeyVFNPTEGLESRWDW-UHFFFAOYSA-N
XLogP2.02
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one (CID 58252605) is 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one is Cc1ccc(N2CCN(Cc3ccn(Cc4ccccc4)c(=O)c3O)CC2)nn1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is VFNPTEGLESRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-17-7-8-20(24-23-17)26-13-11-25(12-14-26)16-19-9-10-27(22(29)21(19)28)15-18-5-3-2-4-6-18/h2-10,28H,11-16H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one?
1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 58252605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).