(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C25H20N6OS2 — CID 129254431

IUPAC(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H20N6OS2/c32-24(30-10-12-31(13-11-30)25-26-8-3-9-27-25)17-6-7-18-19(16-17)29-23(21-5-2-15-34-21)22(28-18)20-4-1-14-33-20/h1-9,14-16H,10-13H2
InChIKeyZJCWGLFNFTUZPB-UHFFFAOYSA-N
MW484.61 g/mol
LogP4.84
Rot. Bonds4

About (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 129254431) has the molecular formula C25H20N6OS2 and a molecular weight of 484.61 g/mol. Its IUPAC name is (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID129254431
Molecular FormulaC25H20N6OS2
Molecular Weight484.61 g/mol
Exact Mass484.11
IUPAC Name(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H20N6OS2/c32-24(30-10-12-31(13-11-30)25-26-8-3-9-27-25)17-6-7-18-19(16-17)29-23(21-5-2-15-34-21)22(28-18)20-4-1-14-33-20/h1-9,14-16H,10-13H2
InChIKeyZJCWGLFNFTUZPB-UHFFFAOYSA-N
XLogP4.84
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone
CID 53036756
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone
CID 29139690
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
2-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
CID 50992112
(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 146127206
(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17495791
(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 91771415
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665

Frequently Asked Questions

What is the IUPAC name of (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 129254431) is (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZJCWGLFNFTUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6OS2/c32-24(30-10-12-31(13-11-30)25-26-8-3-9-27-25)17-6-7-18-19(16-17)29-23(21-5-2-15-34-21)22(28-18)20-4-1-14-33-20/h1-9,14-16H,10-13H2.
What are the key properties of (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 484.61 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 129254431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).