5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine

C24H22FN7O2S — CID 90312730

IUPAC5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2F)cn1
InChIInChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30)
InChIKeyDSJVKTIVBRXYRX-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.83
Rot. Bonds5

About 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine (PubChem CID 90312730) has the molecular formula C24H22FN7O2S and a molecular weight of 491.55 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
PubChem CID90312730
Molecular FormulaC24H22FN7O2S
Molecular Weight491.55 g/mol
Exact Mass491.15
IUPAC Name5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2F)cn1
InChIInChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30)
InChIKeyDSJVKTIVBRXYRX-UHFFFAOYSA-N
XLogP2.83
TPSA118.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine (CID 90312730) is 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
The InChIKey is DSJVKTIVBRXYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30).
What are the key properties of 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine has a molecular weight of 491.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90312730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).