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1022150-12-4,MFCD09972163
Catalog No.:AA0006VT
1022150-12-4 | (R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
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1g
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$91.00   $64.00
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Technical Information
Catalog Number:
AA0006VT
Chemical Name:
(R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number:
1022150-12-4
Molecular Formula:
C22H22N6O
Molecular Weight:
386.4497
MDL Number:
MFCD09972163
IUPAC Name:
3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C22H22N6O/c23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16/h1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26)/t16-/m1/s1
InChI Key:
GPSQYTDPBDNDGI-MRXNPFEDSA-N
SMILES:
Nc1ncnc2c1c(nn2[C@@H]1CCCNC1)c1ccc(cc1)Oc1ccccc1
Properties
Computed Properties
 
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
386.186g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
386.459g/mol
Monoisotopic Mass:
386.186g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
1022150-12-4 
(R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
ZINC95080215 
AKOS024462875 
CS-2435 
DS-7364 
SB17983 
KS-00000S39 
NCGC00378594-02 
SC-20270 
AJ-132049 
AX8273861 
Btk inhibitor 1 R enantiomer 
DB-058780 
FT-0697186 
ST24035433 
(R)-3-(4-PHENOXYPHENYL)-1-(PIPERIDIN-3-YL)-1H-PYRA 
(R)-3-(4-phenoxy phenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
(R)-3-(4-PHENOXYPHENYL)-1-(PIPERIDIN-3-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AM INE 
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3R)-3-piperidinyl- 
3-(4-phenoxyphenyl)-1-(3R)-3-piperidinyl-1H-Pyrazolo[3,4-d]pyrimidin-4-amine 
3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
Btk Inhibitor 1 R-Enantiomer 
Btk inhibitor 1 (R enantiomer) 
C22H22N6O 
ACN-028782 
3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 
AK161693 
SCHEMBL1614096 
GPSQYTDPBDNDGI-MRXNPFEDSA-N 
2923AH 
HY-13036A 
MFCD20482137 
Literature
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