5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine

C23H23F4N5 — CID 90313245

IUPAC5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCC(N)CC3)cc2F)cn1
InChIInChI=1S/C23H23F4N5/c24-20-10-14(1-3-19(20)21-11-31-22(29)12-30-21)18-4-2-16(23(25,26)27)9-15(18)13-32-7-5-17(28)6-8-32/h1-4,9-12,17H,5-8,13,28H2,(H2,29,31)
InChIKeyIYXGRSUFQBWEMI-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.47
Rot. Bonds4

About 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90313245) has the molecular formula C23H23F4N5 and a molecular weight of 445.46 g/mol. Its IUPAC name is 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90313245
Molecular FormulaC23H23F4N5
Molecular Weight445.46 g/mol
Exact Mass445.19
IUPAC Name5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCC(N)CC3)cc2F)cn1
InChIInChI=1S/C23H23F4N5/c24-20-10-14(1-3-19(20)21-11-31-22(29)12-30-21)18-4-2-16(23(25,26)27)9-15(18)13-32-7-5-17(28)6-8-32/h1-4,9-12,17H,5-8,13,28H2,(H2,29,31)
InChIKeyIYXGRSUFQBWEMI-UHFFFAOYSA-N
XLogP4.47
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine (CID 90313245) is 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCC(N)CC3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is IYXGRSUFQBWEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5/c24-20-10-14(1-3-19(20)21-11-31-22(29)12-30-21)18-4-2-16(23(25,26)27)9-15(18)13-32-7-5-17(28)6-8-32/h1-4,9-12,17H,5-8,13,28H2,(H2,29,31).
What are the key properties of 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 445.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(4-aminopiperidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90313245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).