(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C15H17N5OS — CID 42023433

IUPAC(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCSc1ncccc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H17N5OS/c1-22-14-12(3-2-4-18-14)15(21)20-9-7-19(8-10-20)13-11-16-5-6-17-13/h2-6,11H,7-10H2,1H3
InChIKeyKGFZFVNVGQMKMW-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.56
Rot. Bonds3

About (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42023433) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42023433
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCSc1ncccc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H17N5OS/c1-22-14-12(3-2-4-18-14)15(21)20-9-7-19(8-10-20)13-11-16-5-6-17-13/h2-6,11H,7-10H2,1H3
InChIKeyKGFZFVNVGQMKMW-UHFFFAOYSA-N
XLogP1.56
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
(2-methylsulfanyl-3-pyridinyl)-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 126463021
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 32646532
(4-cyclobutyl-1,4-diazepan-1-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
CID 131703062

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42023433) is (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CSc1ncccc1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KGFZFVNVGQMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-22-14-12(3-2-4-18-14)15(21)20-9-7-19(8-10-20)13-11-16-5-6-17-13/h2-6,11H,7-10H2,1H3.
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 315.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42023433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).