2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C24H25F3N4O3 — CID 155451158

IUPAC2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3ccc(C(F)(F)F)nc3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C24H25F3N4O3/c1-23(2,32)20-13-16(5-9-28-20)30-21-14-17(6-10-29-21)34-18-3-4-19(24(25,26)27)31-22(18)15-7-11-33-12-8-15/h3-6,9-10,13-15,32H,7-8,11-12H2,1-2H3,(H,28,29,30)
InChIKeyIZONTHSGJWHICJ-UHFFFAOYSA-N
MW474.48 g/mol
LogP5.55
Rot. Bonds6

About 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451158) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451158
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3ccc(C(F)(F)F)nc3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C24H25F3N4O3/c1-23(2,32)20-13-16(5-9-28-20)30-21-14-17(6-10-29-21)34-18-3-4-19(24(25,26)27)31-22(18)15-7-11-33-12-8-15/h3-6,9-10,13-15,32H,7-8,11-12H2,1-2H3,(H,28,29,30)
InChIKeyIZONTHSGJWHICJ-UHFFFAOYSA-N
XLogP5.55
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451158) is 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3ccc(C(F)(F)F)nc3C3CCOCC3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is IZONTHSGJWHICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-23(2,32)20-13-16(5-9-28-20)30-21-14-17(6-10-29-21)34-18-3-4-19(24(25,26)27)31-22(18)15-7-11-33-12-8-15/h3-6,9-10,13-15,32H,7-8,11-12H2,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 474.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[2-(oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).