4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

C19H27N7O — CID 50970168

IUPAC4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H27N7O/c1-2-15-12-17(22-19(21-15)26-6-4-3-5-7-26)25-10-8-24(9-11-25)16-13-18(27)23-20-14-16/h12-14H,2-11H2,1H3,(H,23,27)
InChIKeyWCXJWBILEIORAY-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.44
Rot. Bonds4

About 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 50970168) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID50970168
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H27N7O/c1-2-15-12-17(22-19(21-15)26-6-4-3-5-7-26)25-10-8-24(9-11-25)16-13-18(27)23-20-14-16/h12-14H,2-11H2,1H3,(H,23,27)
InChIKeyWCXJWBILEIORAY-UHFFFAOYSA-N
XLogP1.44
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 50970168) is 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is CCc1cc(N2CCN(c3cn[nH]c(=O)c3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is WCXJWBILEIORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-15-12-17(22-19(21-15)26-6-4-3-5-7-26)25-10-8-24(9-11-25)16-13-18(27)23-20-14-16/h12-14H,2-11H2,1H3,(H,23,27).
What are the key properties of 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 369.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 50970168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).