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

C23H19F4N5O2 — CID 155451142

IUPAC2-[4-[[4-[1-(2-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-c3ccccc3F)ccn2)ccn1
InChIInChI=1S/C23H19F4N5O2/c1-22(2,33)18-11-14(7-9-28-18)30-20-12-15(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyGFRZDJSTYKMFNU-UHFFFAOYSA-N
MW473.43 g/mol
LogP5.58
Rot. Bonds6

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

2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451142) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451142
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name2-[4-[[4-[1-(2-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-c3ccccc3F)ccn2)ccn1
InChIInChI=1S/C23H19F4N5O2/c1-22(2,33)18-11-14(7-9-28-18)30-20-12-15(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyGFRZDJSTYKMFNU-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-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451142) is 2-[4-[[4-[1-(2-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-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-(2-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-c3ccccc3F)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is GFRZDJSTYKMFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-22(2,33)18-11-14(7-9-28-18)30-20-12-15(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-(2-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-(2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).