1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone

C20H21N5O2 — CID 46225480

IUPAC1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C20H21N5O2/c1-15(26)17-4-2-3-5-18(17)27-16-8-11-24(12-9-16)19-6-7-20(23-22-19)25-13-10-21-14-25/h2-7,10,13-14,16H,8-9,11-12H2,1H3
InChIKeyXOAMLQORFCRAHZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone

1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone (PubChem CID 46225480) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone
PubChem CID46225480
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C20H21N5O2/c1-15(26)17-4-2-3-5-18(17)27-16-8-11-24(12-9-16)19-6-7-20(23-22-19)25-13-10-21-14-25/h2-7,10,13-14,16H,8-9,11-12H2,1H3
InChIKeyXOAMLQORFCRAHZ-UHFFFAOYSA-N
XLogP2.91
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone (CID 46225480) is 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone is CC(=O)c1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone?
The InChIKey is XOAMLQORFCRAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-15(26)17-4-2-3-5-18(17)27-16-8-11-24(12-9-16)19-6-7-20(23-22-19)25-13-10-21-14-25/h2-7,10,13-14,16H,8-9,11-12H2,1H3.
What are the key properties of 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone?
1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone has a molecular weight of 363.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxyphenyl]ethanone is sourced from PubChem (CID 46225480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).