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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H46N12O3
Molecular Weight 826.9467
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-((S)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one

SMILES

NC1=NC=NC2=C1C(=NN2[C@@H]3CCCN(C3)C(=O)CCN4CCC[C@@H](C4)N5N=C(C6=C(N)N=CN=C56)C7=CC=C(OC8=CC=CC=C8)C=C7)C9=CC=C(OC%10=CC=CC=C%10)C=C9

InChI

InChIKey=YVLRPRSHPNBRSQ-SZAHLOSFSA-N
InChI=1S/C47H46N12O3/c48-44-40-42(31-15-19-37(20-16-31)61-35-11-3-1-4-12-35)54-58(46(40)52-29-50-44)33-9-7-24-56(27-33)26-23-39(60)57-25-8-10-34(28-57)59-47-41(45(49)51-30-53-47)43(55-59)32-17-21-38(22-18-32)62-36-13-5-2-6-14-36/h1-6,11-22,29-30,33-34H,7-10,23-28H2,(H2,48,50,52)(H2,49,51,53)/t33-,34+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-((S)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
Systematic Name English
1,3-Bis[(3S)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-1-propanone
Preferred Name English
1-Propanone, 1,3-bis[(3S)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-
Systematic Name English
Code System Code Type Description
CAS
1288338-97-5
Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025
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FDA UNII
JBY5BSK8B3
Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025
PRIMARY
PUBCHEM
67095344
Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025
PRIMARY