4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide

C26H20F3N5O3S — CID 155568966

IUPAC4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4c(-c5ccc(OC(F)(F)F)cc5)cnc34)cc2)cc1
InChIInChI=1S/C26H20F3N5O3S/c1-17-2-12-22(13-3-17)38(35,36)33-20-8-6-19(7-9-20)32-24-25-31-16-23(34(25)15-14-30-24)18-4-10-21(11-5-18)37-26(27,28)29/h2-16,33H,1H3,(H,30,32)
InChIKeySAKQUBPFZUTZIG-UHFFFAOYSA-N
MW539.54 g/mol
LogP6.15
Rot. Bonds7

About 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide

4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide (PubChem CID 155568966) has the molecular formula C26H20F3N5O3S and a molecular weight of 539.54 g/mol. Its IUPAC name is 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
PubChem CID155568966
Molecular FormulaC26H20F3N5O3S
Molecular Weight539.54 g/mol
Exact Mass539.12
IUPAC Name4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4c(-c5ccc(OC(F)(F)F)cc5)cnc34)cc2)cc1
InChIInChI=1S/C26H20F3N5O3S/c1-17-2-12-22(13-3-17)38(35,36)33-20-8-6-19(7-9-20)32-24-25-31-16-23(34(25)15-14-30-24)18-4-10-21(11-5-18)37-26(27,28)29/h2-16,33H,1H3,(H,30,32)
InChIKeySAKQUBPFZUTZIG-UHFFFAOYSA-N
XLogP6.15
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.54
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide (CID 155568966) is 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4c(-c5ccc(OC(F)(F)F)cc5)cnc34)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is SAKQUBPFZUTZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3S/c1-17-2-12-22(13-3-17)38(35,36)33-20-8-6-19(7-9-20)32-24-25-31-16-23(34(25)15-14-30-24)18-4-10-21(11-5-18)37-26(27,28)29/h2-16,33H,1H3,(H,30,32).
What are the key properties of 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide?
4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 539.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 155568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).