5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine

C20H25N7O2S — CID 141415440

IUPAC5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine
SMILESCS(=O)(=O)CCN1CCN(c2cnc(N)c(-c3ncc(-c4ccccc4)[nH]3)n2)CC1
InChIInChI=1S/C20H25N7O2S/c1-30(28,29)12-11-26-7-9-27(10-8-26)17-14-22-19(21)18(25-17)20-23-13-16(24-20)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,21,22)(H,23,24)
InChIKeyWXQCPFDRLVANIJ-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.28
Rot. Bonds6

About 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine

5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine (PubChem CID 141415440) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine
PubChem CID141415440
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine
SMILESCS(=O)(=O)CCN1CCN(c2cnc(N)c(-c3ncc(-c4ccccc4)[nH]3)n2)CC1
InChIInChI=1S/C20H25N7O2S/c1-30(28,29)12-11-26-7-9-27(10-8-26)17-14-22-19(21)18(25-17)20-23-13-16(24-20)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,21,22)(H,23,24)
InChIKeyWXQCPFDRLVANIJ-UHFFFAOYSA-N
XLogP1.28
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine (CID 141415440) is 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine is CS(=O)(=O)CCN1CCN(c2cnc(N)c(-c3ncc(-c4ccccc4)[nH]3)n2)CC1.
What is the InChIKey of 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine?
The InChIKey is WXQCPFDRLVANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-30(28,29)12-11-26-7-9-27(10-8-26)17-14-22-19(21)18(25-17)20-23-13-16(24-20)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine?
5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine has a molecular weight of 427.53 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-(5-phenyl-1H-imidazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 141415440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).