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

C19H15F3N4O2S — CID 71712188

IUPAC5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(S(=O)(=O)C3CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)16-8-3-12(9-24-16)17-18(23)25-10-15(26-17)11-1-4-13(5-2-11)29(27,28)14-6-7-14/h1-5,8-10,14H,6-7H2,(H2,23,25)
InChIKeyWNLGPWQMIXOKQG-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.74
Rot. Bonds4

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

5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 71712188) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID71712188
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(S(=O)(=O)C3CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)16-8-3-12(9-24-16)17-18(23)25-10-15(26-17)11-1-4-13(5-2-11)29(27,28)14-6-7-14/h1-5,8-10,14H,6-7H2,(H2,23,25)
InChIKeyWNLGPWQMIXOKQG-UHFFFAOYSA-N
XLogP3.74
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 71712188) is 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is Nc1ncc(-c2ccc(S(=O)(=O)C3CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is WNLGPWQMIXOKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c20-19(21,22)16-8-3-12(9-24-16)17-18(23)25-10-15(26-17)11-1-4-13(5-2-11)29(27,28)14-6-7-14/h1-5,8-10,14H,6-7H2,(H2,23,25).
What are the key properties of 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 420.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 71712188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).