[3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C23H24N4O2 — CID 126475117

IUPAC[3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(-c3cncc(-c4ccccc4CO)n3)c2)CC1
InChIInChI=1S/C23H24N4O2/c1-26-9-11-27(12-10-26)23(29)18-7-4-6-17(13-18)21-14-24-15-22(25-21)20-8-3-2-5-19(20)16-28/h2-8,13-15,28H,9-12,16H2,1H3
InChIKeyREAJIXSVGAIDLC-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.69
Rot. Bonds4

About [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 126475117) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID126475117
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(-c3cncc(-c4ccccc4CO)n3)c2)CC1
InChIInChI=1S/C23H24N4O2/c1-26-9-11-27(12-10-26)23(29)18-7-4-6-17(13-18)21-14-24-15-22(25-21)20-8-3-2-5-19(20)16-28/h2-8,13-15,28H,9-12,16H2,1H3
InChIKeyREAJIXSVGAIDLC-UHFFFAOYSA-N
XLogP2.69
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 126475117) is [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(-c3cncc(-c4ccccc4CO)n3)c2)CC1.
What is the InChIKey of [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is REAJIXSVGAIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26-9-11-27(12-10-26)23(29)18-7-4-6-17(13-18)21-14-24-15-22(25-21)20-8-3-2-5-19(20)16-28/h2-8,13-15,28H,9-12,16H2,1H3.
What are the key properties of [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[2-(hydroxymethyl)phenyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 126475117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).