2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol

C21H20F4N6O2 — CID 155668471

IUPAC2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESC[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C21H20F4N6O2/c1-13(16-8-15(22)2-3-18(16)33-12-21(23,24)25)28-19-4-5-31-20(29-19)17(10-27-31)14-9-26-30(11-14)6-7-32/h2-5,8-11,13,32H,6-7,12H2,1H3,(H,28,29)/t13-/m1/s1
InChIKeyLZSVARZOFUKQDM-CYBMUJFWSA-N
MW464.42 g/mol
LogP3.84
Rot. Bonds8

About 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol

2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 155668471) has the molecular formula C21H20F4N6O2 and a molecular weight of 464.42 g/mol. Its IUPAC name is 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID155668471
Molecular FormulaC21H20F4N6O2
Molecular Weight464.42 g/mol
Exact Mass464.16
IUPAC Name2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESC[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C21H20F4N6O2/c1-13(16-8-15(22)2-3-18(16)33-12-21(23,24)25)28-19-4-5-31-20(29-19)17(10-27-31)14-9-26-30(11-14)6-7-32/h2-5,8-11,13,32H,6-7,12H2,1H3,(H,28,29)/t13-/m1/s1
InChIKeyLZSVARZOFUKQDM-CYBMUJFWSA-N
XLogP3.84
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (CID 155668471) is 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F.
What is the InChIKey of 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is LZSVARZOFUKQDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20F4N6O2/c1-13(16-8-15(22)2-3-18(16)33-12-21(23,24)25)28-19-4-5-31-20(29-19)17(10-27-31)14-9-26-30(11-14)6-7-32/h2-5,8-11,13,32H,6-7,12H2,1H3,(H,28,29)/t13-/m1/s1.
What are the key properties of 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 464.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155668471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).