1-[(3R)-3-[5-[3-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-4-imino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H48N12O4
Molecular Weight	880.9941
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-[(3R)-3-[5-[3-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-4-imino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Structure Search

SMILES

NC1=C2C(=NC=N1)N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]5CCCN(C5)C(=O)CCN6C=NC7=C(C(=NN7[C@@H]8CCCN(C8)C(=O)C=C)C9=CC=C(OC%10=CC=CC=C%10)C=C9)C6=N

InChI

InChIKey=BDBRPLQKDJWEDP-LQFQNGICSA-N

InChI=1S/C50H48N12O4/c1-2-41(63)58-26-9-11-35(29-58)62-50-44(46(57-62)34-19-23-40(24-20-34)66-38-15-7-4-8-16-38)48(52)60(32-55-50)28-25-42(64)59-27-10-12-36(30-59)61-49-43(47(51)53-31-54-49)45(56-61)33-17-21-39(22-18-33)65-37-13-5-3-6-14-37/h2-8,13-24,31-32,35-36,52H,1,9-12,25-30H2,(H2,51,53,54)/t35-,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H48N12O4
Molecular Weight	880.9941
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:33:50 GMT 2025` Edited by `admin` on `Wed Apr 02 19:33:50 GMT 2025`
Record UNII	569ZVK5ZWY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-[(3R)-3-[5-[3-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-4-imino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Systematic Name

English

1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

Preferred Name

English

2-Propen-1-one, 1-[(3R)-3-[5-[3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-4-imino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

163202521

Created by admin on Wed Apr 02 19:33:50 GMT 2025 , Edited by admin on Wed Apr 02 19:33:50 GMT 2025

PRIMARY

CAS

2417548-76-4

Created by admin on Wed Apr 02 19:33:50 GMT 2025 , Edited by admin on Wed Apr 02 19:33:50 GMT 2025

PRIMARY

FDA UNII

569ZVK5ZWY

Created by admin on Wed Apr 02 19:33:50 GMT 2025 , Edited by admin on Wed Apr 02 19:33:50 GMT 2025

PRIMARY