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

C19H16ClFN4OS — CID 18569379

IUPAC(2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16ClFN4OS/c20-13-3-1-4-14(21)18(13)19(26)25-10-8-24(9-11-25)17-7-6-15(22-23-17)16-5-2-12-27-16/h1-7,12H,8-11H2
InChIKeyMPRWGDQBOHWTDI-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.96
Rot. Bonds3

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

(2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 18569379) has the molecular formula C19H16ClFN4OS and a molecular weight of 402.88 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID18569379
Molecular FormulaC19H16ClFN4OS
Molecular Weight402.88 g/mol
Exact Mass402.07
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16ClFN4OS/c20-13-3-1-4-14(21)18(13)19(26)25-10-8-24(9-11-25)17-7-6-15(22-23-17)16-5-2-12-27-16/h1-7,12H,8-11H2
InChIKeyMPRWGDQBOHWTDI-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

6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 137638565
5-Chloro-2-fluoro-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperidin-4-YL}benzamide
CID 75528397
2-Chloro-4-fluoro-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]pyrrolidin-3-YL}benzamide
CID 91888157
(4-(6-(Thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 18569375
N-(3-chloro-4-fluorophenyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 20947279
3-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-6-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyridazine
CID 25667900
(2-Fluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 41233226
(2,6-Difluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 41233229
(4-(6-(Thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 41233258
(4-(6-(4-Fluorophenyl)pyridazin-3-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 42110663
N-{1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl}-2-(3-thienyl)acetamide
CID 71793986
1-(3-Chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperazine
CID 75527403

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 18569379) is (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is MPRWGDQBOHWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4OS/c20-13-3-1-4-14(21)18(13)19(26)25-10-8-24(9-11-25)17-7-6-15(22-23-17)16-5-2-12-27-16/h1-7,12H,8-11H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-chloro-6-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-6-fluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18569379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).