[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

C24H28N6O2 — CID 121113860

IUPAC[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)nn1
InChIInChI=1S/C24H28N6O2/c1-19-25-11-12-30(19)22-8-7-21(26-27-22)28-13-15-29(16-14-28)23(31)24(9-17-32-18-10-24)20-5-3-2-4-6-20/h2-8,11-12H,9-10,13-18H2,1H3
InChIKeyAWJCWSFEMGIOSF-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.37
Rot. Bonds4

About [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 121113860) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID121113860
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)nn1
InChIInChI=1S/C24H28N6O2/c1-19-25-11-12-30(19)22-8-7-21(26-27-22)28-13-15-29(16-14-28)23(31)24(9-17-32-18-10-24)20-5-3-2-4-6-20/h2-8,11-12H,9-10,13-18H2,1H3
InChIKeyAWJCWSFEMGIOSF-UHFFFAOYSA-N
XLogP2.37
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 90565111
(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347595
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122281212
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122333244
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
[4-(4-methoxyphenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 47718009
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 121113860) is [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is Cc1nccn1-c1ccc(N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)nn1.
What is the InChIKey of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is AWJCWSFEMGIOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-19-25-11-12-30(19)22-8-7-21(26-27-22)28-13-15-29(16-14-28)23(31)24(9-17-32-18-10-24)20-5-3-2-4-6-20/h2-8,11-12H,9-10,13-18H2,1H3.
What are the key properties of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 432.53 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 121113860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).