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

C22H24F3N5O3 — CID 155450825

IUPAC2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C22H24F3N5O3/c1-21(2,31)17-11-14(3-7-26-17)28-19-12-16(4-8-27-19)33-20-13-18(22(23,24)25)29-30(20)15-5-9-32-10-6-15/h3-4,7-8,11-13,15,31H,5-6,9-10H2,1-2H3,(H,26,27,28)
InChIKeyCQKKWMNOMWAQLV-UHFFFAOYSA-N
MW463.46 g/mol
LogP4.81
Rot. Bonds6

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

2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450825) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450825
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)ccn1
InChIInChI=1S/C22H24F3N5O3/c1-21(2,31)17-11-14(3-7-26-17)28-19-12-16(4-8-27-19)33-20-13-18(22(23,24)25)29-30(20)15-5-9-32-10-6-15/h3-4,7-8,11-13,15,31H,5-6,9-10H2,1-2H3,(H,26,27,28)
InChIKeyCQKKWMNOMWAQLV-UHFFFAOYSA-N
XLogP4.81
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450825) is 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-(oxan-4-yl)-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)nn3C3CCOCC3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is CQKKWMNOMWAQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c1-21(2,31)17-11-14(3-7-26-17)28-19-12-16(4-8-27-19)33-20-13-18(22(23,24)25)29-30(20)15-5-9-32-10-6-15/h3-4,7-8,11-13,15,31H,5-6,9-10H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 463.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).