[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C23H21F3N4O2 — CID 71712056

IUPAC[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-7-5-15(6-8-17)20-21(27)28-13-19(29-20)14-1-3-16(4-2-14)22(32)30-11-9-18(31)10-12-30/h1-8,13,18,31H,9-12H2,(H2,27,28)
InChIKeyFKDIWALLMXDOBS-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.01
Rot. Bonds3

About [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 71712056) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID71712056
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-7-5-15(6-8-17)20-21(27)28-13-19(29-20)14-1-3-16(4-2-14)22(32)30-11-9-18(31)10-12-30/h1-8,13,18,31H,9-12H2,(H2,27,28)
InChIKeyFKDIWALLMXDOBS-UHFFFAOYSA-N
XLogP4.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 71712056) is [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is Nc1ncc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is FKDIWALLMXDOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)17-7-5-15(6-8-17)20-21(27)28-13-19(29-20)14-1-3-16(4-2-14)22(32)30-11-9-18(31)10-12-30/h1-8,13,18,31H,9-12H2,(H2,27,28).
What are the key properties of [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 442.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71712056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).