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

C23H20F3N5O2 — CID 155450814

IUPAC2-[4-[[4-[1-phenyl-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-c3ccccc3)ccn2)ccn1
InChIInChI=1S/C23H20F3N5O2/c1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16/h3-14,32H,1-2H3,(H,27,28,29)
InChIKeyRQMGLARVACYAJY-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.44
Rot. Bonds6

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

2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450814) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450814
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2-[4-[[4-[1-phenyl-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-c3ccccc3)ccn2)ccn1
InChIInChI=1S/C23H20F3N5O2/c1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16/h3-14,32H,1-2H3,(H,27,28,29)
InChIKeyRQMGLARVACYAJY-UHFFFAOYSA-N
XLogP5.44
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

Ly-3200882
CID 121249291
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781217
6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781218
4-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]benzonitrile
CID 147109426
4-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-methylcyclohexan-1-ol
CID 147473320
1-[4-[[4-[1-Cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
2-[4-[[4-[1-Cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
CID 150486404
2-[4-[[4-[1-Cyclopropyl-3-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 151097389
2-[4-[[4-(1-Cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 151595124
3-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)azetidin-3-ol
CID 152316898
2-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 153533399

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450814) is 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-phenyl-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-c3ccccc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is RQMGLARVACYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16/h3-14,32H,1-2H3,(H,27,28,29).
What are the key properties of 2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 455.44 g/mol, XLogP of 5.44, 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-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).