(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H19N5O3S — CID 118741502

IUPAC(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)cn1
InChIInChI=1S/C15H19N5O3S/c1-10-7-17-11(8-16-10)15(21)20-6-4-3-5-12(20)14-13(9-18-19-14)24(2,22)23/h7-9,12H,3-6H2,1-2H3,(H,18,19)
InChIKeyJXLAEUDHTZNANM-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.28
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 118741502) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID118741502
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)cn1
InChIInChI=1S/C15H19N5O3S/c1-10-7-17-11(8-16-10)15(21)20-6-4-3-5-12(20)14-13(9-18-19-14)24(2,22)23/h7-9,12H,3-6H2,1-2H3,(H,18,19)
InChIKeyJXLAEUDHTZNANM-UHFFFAOYSA-N
XLogP1.28
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 118741502) is (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCCCC2c2[nH]ncc2S(C)(=O)=O)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JXLAEUDHTZNANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-10-7-17-11(8-16-10)15(21)20-6-4-3-5-12(20)14-13(9-18-19-14)24(2,22)23/h7-9,12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 349.42 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118741502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).