5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine

C24H23FN6O2S — CID 90314179

IUPAC5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4cnc[nH]4)CC3)cc2F)cn1
InChIInChI=1S/C24H23FN6O2S/c25-20-11-17(5-6-19(20)22-13-29-24(26)14-28-22)18-3-1-2-4-23(18)34(32,33)31-9-7-16(8-10-31)21-12-27-15-30-21/h1-6,11-16H,7-10H2,(H2,26,29)(H,27,30)
InChIKeyPQHICHCOQYKFQN-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.82
Rot. Bonds5

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

5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine (PubChem CID 90314179) has the molecular formula C24H23FN6O2S and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine
PubChem CID90314179
Molecular FormulaC24H23FN6O2S
Molecular Weight478.55 g/mol
Exact Mass478.16
IUPAC Name5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4cnc[nH]4)CC3)cc2F)cn1
InChIInChI=1S/C24H23FN6O2S/c25-20-11-17(5-6-19(20)22-13-29-24(26)14-28-22)18-3-1-2-4-23(18)34(32,33)31-9-7-16(8-10-31)21-12-27-15-30-21/h1-6,11-16H,7-10H2,(H2,26,29)(H,27,30)
InChIKeyPQHICHCOQYKFQN-UHFFFAOYSA-N
XLogP3.82
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine (CID 90314179) is 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(c4cnc[nH]4)CC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine?
The InChIKey is PQHICHCOQYKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2S/c25-20-11-17(5-6-19(20)22-13-29-24(26)14-28-22)18-3-1-2-4-23(18)34(32,33)31-9-7-16(8-10-31)21-12-27-15-30-21/h1-6,11-16H,7-10H2,(H2,26,29)(H,27,30).
What are the key properties of 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine has a molecular weight of 478.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90314179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).