2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one

C25H24N6O2S — CID 56724575

IUPAC2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C25H24N6O2S/c1-18(31-24(32)10-9-20(28-31)22-8-5-15-34-22)25(33)30-13-11-29(12-14-30)23-16-21(26-17-27-23)19-6-3-2-4-7-19/h2-10,15-18H,11-14H2,1H3
InChIKeyIOGUJIDLRGNXKM-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.34
Rot. Bonds5

About 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one

2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 56724575) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID56724575
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C25H24N6O2S/c1-18(31-24(32)10-9-20(28-31)22-8-5-15-34-22)25(33)30-13-11-29(12-14-30)23-16-21(26-17-27-23)19-6-3-2-4-7-19/h2-10,15-18H,11-14H2,1H3
InChIKeyIOGUJIDLRGNXKM-UHFFFAOYSA-N
XLogP3.34
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one (CID 56724575) is 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one is CC(C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is IOGUJIDLRGNXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-18(31-24(32)10-9-20(28-31)22-8-5-15-34-22)25(33)30-13-11-29(12-14-30)23-16-21(26-17-27-23)19-6-3-2-4-7-19/h2-10,15-18H,11-14H2,1H3.
What are the key properties of 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 472.57 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 56724575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).