2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one

C22H23N5O2 — CID 3245698

IUPAC2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(26-16-14-25(15-17-26)20-8-4-5-12-23-20)11-13-27-22(29)10-9-19(24-27)18-6-2-1-3-7-18/h1-10,12H,11,13-17H2
InChIKeyKZTYLXOHTJUBRI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.04
Rot. Bonds5

About 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one

2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one (PubChem CID 3245698) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one
PubChem CID3245698
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H23N5O2/c28-21(26-16-14-25(15-17-26)20-8-4-5-12-23-20)11-13-27-22(29)10-9-19(24-27)18-6-2-1-3-7-18/h1-10,12H,11,13-17H2
InChIKeyKZTYLXOHTJUBRI-UHFFFAOYSA-N
XLogP2.04
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one (CID 3245698) is 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one is O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
The InChIKey is KZTYLXOHTJUBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(26-16-14-25(15-17-26)20-8-4-5-12-23-20)11-13-27-22(29)10-9-19(24-27)18-6-2-1-3-7-18/h1-10,12H,11,13-17H2.
What are the key properties of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one has a molecular weight of 389.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 3245698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).