5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine

C19H13F3N4O3S — CID 118611264

IUPAC5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
SMILESNc1c(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2nccnc2n1-c1ccccc1
InChIInChI=1S/C19H13F3N4O3S/c20-19(21,22)29-13-6-8-14(9-7-13)30(27,28)16-15-18(25-11-10-24-15)26(17(16)23)12-4-2-1-3-5-12/h1-11H,23H2
InChIKeyGPMQPIMERLQJHR-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.73
Rot. Bonds4

About 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine

5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine (PubChem CID 118611264) has the molecular formula C19H13F3N4O3S and a molecular weight of 434.40 g/mol. Its IUPAC name is 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
PubChem CID118611264
Molecular FormulaC19H13F3N4O3S
Molecular Weight434.40 g/mol
Exact Mass434.07
IUPAC Name5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
SMILESNc1c(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2nccnc2n1-c1ccccc1
InChIInChI=1S/C19H13F3N4O3S/c20-19(21,22)29-13-6-8-14(9-7-13)30(27,28)16-15-18(25-11-10-24-15)26(17(16)23)12-4-2-1-3-5-12/h1-11H,23H2
InChIKeyGPMQPIMERLQJHR-UHFFFAOYSA-N
XLogP3.73
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
The IUPAC name of 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine (CID 118611264) is 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine.
What is the SMILES notation for 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
The canonical SMILES for 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine is Nc1c(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2nccnc2n1-c1ccccc1.
What is the InChIKey of 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
The InChIKey is GPMQPIMERLQJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S/c20-19(21,22)29-13-6-8-14(9-7-13)30(27,28)16-15-18(25-11-10-24-15)26(17(16)23)12-4-2-1-3-5-12/h1-11H,23H2.
What are the key properties of 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine?
5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine has a molecular weight of 434.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 118611264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).