(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

C18H18N6O2 — CID 71791218

IUPAC(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C18H18N6O2/c25-18(6-3-15-2-1-13-26-15)23-11-9-22(10-12-23)16-4-5-17(21-20-16)24-8-7-19-14-24/h1-8,13-14H,9-12H2/b6-3+
InChIKeyDGKVCPXJMVUIIO-ZZXKWVIFSA-N
MW350.38 g/mol
LogP1.62
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 71791218) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID71791218
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C18H18N6O2/c25-18(6-3-15-2-1-13-26-15)23-11-9-22(10-12-23)16-4-5-17(21-20-16)24-8-7-19-14-24/h1-8,13-14H,9-12H2/b6-3+
InChIKeyDGKVCPXJMVUIIO-ZZXKWVIFSA-N
XLogP1.62
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 121054109
(E)-3-(furan-2-yl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 121072303
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
(E)-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 122340199
(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one
CID 75407670
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539357
(E)-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122338212
(E)-3-(furan-2-yl)-1-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 90571306
3-(furan-2-yl)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 71960841
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 95368525

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one (CID 71791218) is (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is DGKVCPXJMVUIIO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(6-3-15-2-1-13-26-15)23-11-9-22(10-12-23)16-4-5-17(21-20-16)24-8-7-19-14-24/h1-8,13-14H,9-12H2/b6-3+.
What are the key properties of (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 350.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71791218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).