[4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

C23H20F3N3O2 — CID 53311133

IUPAC[4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-7-5-16(6-8-19)20-13-18(14-28-21(20)27)15-1-3-17(4-2-15)22(30)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H2,27,28)
InChIKeySOEIQDGWTONCHH-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.49
Rot. Bonds3

About [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

[4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 53311133) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
PubChem CID53311133
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name[4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-7-5-16(6-8-19)20-13-18(14-28-21(20)27)15-1-3-17(4-2-15)22(30)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H2,27,28)
InChIKeySOEIQDGWTONCHH-UHFFFAOYSA-N
XLogP4.49
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (CID 53311133) is [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SOEIQDGWTONCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)19-7-5-16(6-8-19)20-13-18(14-28-21(20)27)15-1-3-17(4-2-15)22(30)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H2,27,28).
What are the key properties of [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
[4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 427.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53311133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).