(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H19N5OS — CID 51129599

IUPAC(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Sc2ccccn2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H19N5OS/c26-19(24-12-14-25(15-13-24)20-22-10-3-11-23-20)16-5-7-17(8-6-16)27-18-4-1-2-9-21-18/h1-11H,12-15H2
InChIKeyJHALNVPLFJFLBT-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.99
Rot. Bonds4

About (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 51129599) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID51129599
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Sc2ccccn2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H19N5OS/c26-19(24-12-14-25(15-13-24)20-22-10-3-11-23-20)16-5-7-17(8-6-16)27-18-4-1-2-9-21-18/h1-11H,12-15H2
InChIKeyJHALNVPLFJFLBT-UHFFFAOYSA-N
XLogP2.99
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
CID 51129741
(8aR)-2-(4-pyridin-2-ylsulfanylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 97251863
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
[4-[(tert-butylamino)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 59768517
[4-[(4-chlorophenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9243250
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 51129599) is (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Sc2ccccn2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JHALNVPLFJFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-19(24-12-14-25(15-13-24)20-22-10-3-11-23-20)16-5-7-17(8-6-16)27-18-4-1-2-9-21-18/h1-11H,12-15H2.
What are the key properties of (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 51129599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).