(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H16ClFN4OS — CID 121058655

IUPAC(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16ClFN4OS/c20-15-12-13(21)3-4-14(15)19(26)25-9-7-24(8-10-25)18-6-5-16(22-23-18)17-2-1-11-27-17/h1-6,11-12H,7-10H2
InChIKeyOKQVTBQFIYKXSS-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.96
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058655) has the molecular formula C19H16ClFN4OS and a molecular weight of 402.88 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058655
Molecular FormulaC19H16ClFN4OS
Molecular Weight402.88 g/mol
Exact Mass402.07
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16ClFN4OS/c20-15-12-13(21)3-4-14(15)19(26)25-9-7-24(8-10-25)18-6-5-16(22-23-18)17-2-1-11-27-17/h1-6,11-12H,7-10H2
InChIKeyOKQVTBQFIYKXSS-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichlorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058643
(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059786
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372
(2-chloro-4-fluorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91904740
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233311
2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233272
(2-chloro-4-fluorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892338
(2-chloro-4-fluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 46628408
(2-chloro-4-fluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031867
(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 41233115
(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527424

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058655) is (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is OKQVTBQFIYKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4OS/c20-15-12-13(21)3-4-14(15)19(26)25-9-7-24(8-10-25)18-6-5-16(22-23-18)17-2-1-11-27-17/h1-6,11-12H,7-10H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 402.88 g/mol, XLogP of 3.96, 3 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-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).