2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C23H19F4N5O2 — CID 155450816

IUPAC2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccc(F)cc3)ccn2)ccn1
InChIInChI=1S/C23H19F4N5O2/c1-22(2,33)18-11-15(7-9-28-18)30-20-12-17(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)16-5-3-14(24)4-6-16/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyPUTRGHOSAXYTAS-UHFFFAOYSA-N
MW473.43 g/mol
LogP5.58
Rot. Bonds6

About 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450816) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450816
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccc(F)cc3)ccn2)ccn1
InChIInChI=1S/C23H19F4N5O2/c1-22(2,33)18-11-15(7-9-28-18)30-20-12-17(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)16-5-3-14(24)4-6-16/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyPUTRGHOSAXYTAS-UHFFFAOYSA-N
XLogP5.58
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450816) is 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccc(F)cc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is PUTRGHOSAXYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-22(2,33)18-11-15(7-9-28-18)30-20-12-17(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)16-5-3-14(24)4-6-16/h3-13,33H,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 473.43 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).