2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol

C23H25F3N6O2 — CID 156785526

IUPAC2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESCCC(c1cc(F)ccc1OCC(F)F)N(C)c1ccn2ncc(-c3cnn(CCO)c3)c2n1
InChIInChI=1S/C23H25F3N6O2/c1-3-19(17-10-16(24)4-5-20(17)34-14-21(25)26)30(2)22-6-7-32-23(29-22)18(12-28-32)15-11-27-31(13-15)8-9-33/h4-7,10-13,19,21,33H,3,8-9,14H2,1-2H3
InChIKeyIWSPTGCRFBQAFB-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.96
Rot. Bonds10

About 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol

2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 156785526) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID156785526
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESCCC(c1cc(F)ccc1OCC(F)F)N(C)c1ccn2ncc(-c3cnn(CCO)c3)c2n1
InChIInChI=1S/C23H25F3N6O2/c1-3-19(17-10-16(24)4-5-20(17)34-14-21(25)26)30(2)22-6-7-32-23(29-22)18(12-28-32)15-11-27-31(13-15)8-9-33/h4-7,10-13,19,21,33H,3,8-9,14H2,1-2H3
InChIKeyIWSPTGCRFBQAFB-UHFFFAOYSA-N
XLogP3.96
TPSA80.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (CID 156785526) is 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is CCC(c1cc(F)ccc1OCC(F)F)N(C)c1ccn2ncc(-c3cnn(CCO)c3)c2n1.
What is the InChIKey of 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is IWSPTGCRFBQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-3-19(17-10-16(24)4-5-20(17)34-14-21(25)26)30(2)22-6-7-32-23(29-22)18(12-28-32)15-11-27-31(13-15)8-9-33/h4-7,10-13,19,21,33H,3,8-9,14H2,1-2H3.
What are the key properties of 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 474.49 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]propyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 156785526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).