(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C23H22ClFN4O2 — CID 121059786

IUPAC(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)cc1
InChIInChI=1S/C23H22ClFN4O2/c1-2-31-18-6-3-16(4-7-18)21-9-10-22(27-26-21)28-11-13-29(14-12-28)23(30)19-8-5-17(25)15-20(19)24/h3-10,15H,2,11-14H2,1H3
InChIKeyQYSDJXIQWNILGP-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.30
Rot. Bonds5

About (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121059786) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121059786
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)cc1
InChIInChI=1S/C23H22ClFN4O2/c1-2-31-18-6-3-16(4-7-18)21-9-10-22(27-26-21)28-11-13-29(14-12-28)23(30)19-8-5-17(25)15-20(19)24/h3-10,15H,2,11-14H2,1H3
InChIKeyQYSDJXIQWNILGP-UHFFFAOYSA-N
XLogP4.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058655
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
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121059823
[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
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
(2-chloro-4-fluorophenyl)-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491256
(2-chloro-4-fluorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892338
(2-chloro-4-fluorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91904740
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121059786) is (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)cc1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is QYSDJXIQWNILGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-2-31-18-6-3-16(4-7-18)21-9-10-22(27-26-21)28-11-13-29(14-12-28)23(30)19-8-5-17(25)15-20(19)24/h3-10,15H,2,11-14H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 440.91 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121059786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).