[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

C17H20N4O4S — CID 118782256

IUPAC[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1nccnc1-c1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C17H20N4O4S/c1-25-16-15(18-6-7-19-16)13-4-3-5-14(12-13)17(22)20-8-10-21(11-9-20)26(2,23)24/h3-7,12H,8-11H2,1-2H3
InChIKeyPYPMCYQPMBNRNX-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.87
Rot. Bonds4

About [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 118782256) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID118782256
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1nccnc1-c1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C17H20N4O4S/c1-25-16-15(18-6-7-19-16)13-4-3-5-14(12-13)17(22)20-8-10-21(11-9-20)26(2,23)24/h3-7,12H,8-11H2,1-2H3
InChIKeyPYPMCYQPMBNRNX-UHFFFAOYSA-N
XLogP0.87
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
(4-methylsulfonylpiperazin-1-yl)-[3-(sulfanylamino)phenyl]methanone
CID 122659147
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone
CID 119059624
[3-[3-(methylamino)pyrazin-2-yl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 122555826
1-[4-[3-[6-(6-methoxy-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71550829
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 118782256) is [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone is COc1nccnc1-c1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PYPMCYQPMBNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-25-16-15(18-6-7-19-16)13-4-3-5-14(12-13)17(22)20-8-10-21(11-9-20)26(2,23)24/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 376.44 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 118782256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).