5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C19H17F3N4O2S — CID 71712051

IUPAC5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C19H17F3N4O2S/c1-11(2)29(27,28)14-6-3-12(4-7-14)15-10-25-18(23)17(26-15)13-5-8-16(24-9-13)19(20,21)22/h3-11H,1-2H3,(H2,23,25)
InChIKeyUAEQPLLFQAIGHI-UHFFFAOYSA-N
MW422.43 g/mol
LogP3.99
Rot. Bonds4

About 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 71712051) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID71712051
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C19H17F3N4O2S/c1-11(2)29(27,28)14-6-3-12(4-7-14)15-10-25-18(23)17(26-15)13-5-8-16(24-9-13)19(20,21)22/h3-11H,1-2H3,(H2,23,25)
InChIKeyUAEQPLLFQAIGHI-UHFFFAOYSA-N
XLogP3.99
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 71712051) is 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1.
What is the InChIKey of 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is UAEQPLLFQAIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c1-11(2)29(27,28)14-6-3-12(4-7-14)15-10-25-18(23)17(26-15)13-5-8-16(24-9-13)19(20,21)22/h3-11H,1-2H3,(H2,23,25).
What are the key properties of 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 422.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 71712051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).