1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C27H34N4O2 — CID 121059845

IUPAC1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)nn2)cc1
InChIInChI=1S/C27H34N4O2/c1-2-33-23-5-3-22(4-6-23)24-7-8-25(29-28-24)30-9-11-31(12-10-30)26(32)27-16-19-13-20(17-27)15-21(14-19)18-27/h3-8,19-21H,2,9-18H2,1H3
InChIKeyHTEVVSQGULEGCU-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.41
Rot. Bonds5

About 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121059845) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121059845
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)nn2)cc1
InChIInChI=1S/C27H34N4O2/c1-2-33-23-5-3-22(4-6-23)24-7-8-25(29-28-24)30-9-11-31(12-10-30)26(32)27-16-19-13-20(17-27)15-21(14-19)18-27/h3-8,19-21H,2,9-18H2,1H3
InChIKeyHTEVVSQGULEGCU-UHFFFAOYSA-N
XLogP4.41
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059786
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 121059808
3-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121059791
4-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 121059780
2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108753633
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121059823
6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
2-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 139027698

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121059845) is 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is CCOc1ccc(-c2ccc(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)nn2)cc1.
What is the InChIKey of 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is HTEVVSQGULEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-2-33-23-5-3-22(4-6-23)24-7-8-25(29-28-24)30-9-11-31(12-10-30)26(32)27-16-19-13-20(17-27)15-21(14-19)18-27/h3-8,19-21H,2,9-18H2,1H3.
What are the key properties of 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 446.60 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121059845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).