2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol

C21H22F2N6O2 — CID 155126803

IUPAC2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESCC(Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCCF
InChIInChI=1S/C21H22F2N6O2/c1-14(17-10-16(23)2-3-19(17)31-9-5-22)26-20-4-6-29-21(27-20)18(12-25-29)15-11-24-28(13-15)7-8-30/h2-4,6,10-14,30H,5,7-9H2,1H3,(H,26,27)
InChIKeyFAKXEWJDAOBWND-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.25
Rot. Bonds9

About 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol

2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 155126803) has the molecular formula C21H22F2N6O2 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID155126803
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC Name2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESCC(Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCCF
InChIInChI=1S/C21H22F2N6O2/c1-14(17-10-16(23)2-3-19(17)31-9-5-22)26-20-4-6-29-21(27-20)18(12-25-29)15-11-24-28(13-15)7-8-30/h2-4,6,10-14,30H,5,7-9H2,1H3,(H,26,27)
InChIKeyFAKXEWJDAOBWND-UHFFFAOYSA-N
XLogP3.25
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-[1-[fluoro(phosphanyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 170260329
N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-propan-2-ylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165037245
2-[4-fluoro-2-[1-[(3-iodopyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]phenoxy]ethanol
CID 163625527
N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 155668392
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
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
5-N-[1-[2-(2-aminoethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine;2,2,2-trifluoroacetic acid
CID 175921425
N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135728
3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 155135646
3-(5,5-dimethyl-1,2-dihydro-1,2,4-triazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 164710807
N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol
CID 165023439

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol (CID 155126803) is 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is CC(Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCCF.
What is the InChIKey of 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is FAKXEWJDAOBWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O2/c1-14(17-10-16(23)2-3-19(17)31-9-5-22)26-20-4-6-29-21(27-20)18(12-25-29)15-11-24-28(13-15)7-8-30/h2-4,6,10-14,30H,5,7-9H2,1H3,(H,26,27).
What are the key properties of 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 428.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155126803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).