(2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H16F2N4OS — CID 41233229

IUPAC(2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16F2N4OS/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
InChIKeyTVNHLSBXFRYDHQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.45
Rot. Bonds3

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

(2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 41233229) has the molecular formula C19H16F2N4OS and a molecular weight of 386.43 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID41233229
Molecular FormulaC19H16F2N4OS
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name(2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H16F2N4OS/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
InChIKeyTVNHLSBXFRYDHQ-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 41233229) is (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is TVNHLSBXFRYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS/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 (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 41233229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).