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

C21H21F3N6O2 — CID 155668394

IUPAC2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]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
InChIInChI=1S/C21H21F3N6O2/c1-13(16-8-15(22)2-3-18(16)32-12-19(23)24)27-20-4-5-30-21(28-20)17(10-26-30)14-9-25-29(11-14)6-7-31/h2-5,8-11,13,19,31H,6-7,12H2,1H3,(H,27,28)/t13-/m1/s1
InChIKeyGYWAMONQPZXXDB-CYBMUJFWSA-N
MW446.43 g/mol
LogP3.54
Rot. Bonds9

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

2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 155668394) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID155668394
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]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
InChIInChI=1S/C21H21F3N6O2/c1-13(16-8-15(22)2-3-18(16)32-12-19(23)24)27-20-4-5-30-21(28-20)17(10-26-30)14-9-25-29(11-14)6-7-31/h2-5,8-11,13,19,31H,6-7,12H2,1H3,(H,27,28)/t13-/m1/s1
InChIKeyGYWAMONQPZXXDB-CYBMUJFWSA-N
XLogP3.54
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (CID 155668394) is 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]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.
What is the InChIKey of 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is GYWAMONQPZXXDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-13(16-8-15(22)2-3-18(16)32-12-19(23)24)27-20-4-5-30-21(28-20)17(10-26-30)14-9-25-29(11-14)6-7-31/h2-5,8-11,13,19,31H,6-7,12H2,1H3,(H,27,28)/t13-/m1/s1.
What are the key properties of 2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 446.43 g/mol, XLogP of 3.54, 9 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-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155668394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).