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

C20H19F3N4O2 — CID 155451172

IUPAC2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O2/c1-12-4-5-15(18(26-12)20(21,22)23)29-14-7-9-25-17(11-14)27-13-6-8-24-16(10-13)19(2,3)28/h4-11,28H,1-3H3,(H,24,25,27)
InChIKeyKMHZIDYUPUBYIK-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.96
Rot. Bonds5

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

2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451172) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451172
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O2/c1-12-4-5-15(18(26-12)20(21,22)23)29-14-7-9-25-17(11-14)27-13-6-8-24-16(10-13)19(2,3)28/h4-11,28H,1-3H3,(H,24,25,27)
InChIKeyKMHZIDYUPUBYIK-UHFFFAOYSA-N
XLogP4.96
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451172) is 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is KMHZIDYUPUBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12-4-5-15(18(26-12)20(21,22)23)29-14-7-9-25-17(11-14)27-13-6-8-24-16(10-13)19(2,3)28/h4-11,28H,1-3H3,(H,24,25,27).
What are the key properties of 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 404.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[6-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).