[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone

C27H28N6O2 — CID 121059823

IUPAC[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)nn2)cc1
InChIInChI=1S/C27H28N6O2/c1-2-35-24-9-7-22(8-10-24)25-11-12-26(30-29-25)32-15-17-33(18-16-32)27(34)23-5-3-21(4-6-23)19-31-14-13-28-20-31/h3-14,20H,2,15-19H2,1H3
InChIKeyHYLSXDARKWNRJC-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.75
Rot. Bonds7

About [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone

[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 121059823) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID121059823
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)nn2)cc1
InChIInChI=1S/C27H28N6O2/c1-2-35-24-9-7-22(8-10-24)25-11-12-26(30-29-25)32-15-17-33(18-16-32)27(34)23-5-3-21(4-6-23)19-31-14-13-28-20-31/h3-14,20H,2,15-19H2,1H3
InChIKeyHYLSXDARKWNRJC-UHFFFAOYSA-N
XLogP3.75
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
3-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121059791
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059786
[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121058331
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 121059808
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059845
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone (CID 121059823) is [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone is CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)nn2)cc1.
What is the InChIKey of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is HYLSXDARKWNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-2-35-24-9-7-22(8-10-24)25-11-12-26(30-29-25)32-15-17-33(18-16-32)27(34)23-5-3-21(4-6-23)19-31-14-13-28-20-31/h3-14,20H,2,15-19H2,1H3.
What are the key properties of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone?
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 468.56 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 121059823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).