β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid, (βR)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32N6OSi.C18H14O8
Molecular Weight	794.9242
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid, (βR)-

Structure Search

SMILES

OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C2=CC=CC=C2)C(O)=O.C[Si](C)(C)CCOCN3C=CC4=C(N=CN=C34)C5=CN(N=C5)[C@H](CC#N)C6CCCC6

InChI

InChIKey=QSAALLKTEBWYGD-FFLVPEHISA-N

InChI=1S/C23H32N6OSi.C18H14O8/c1-31(2,3)13-12-30-17-28-11-9-20-22(25-16-26-23(20)28)19-14-27-29(15-19)21(8-10-24)18-6-4-5-7-18;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h9,11,14-16,18,21H,4-8,12-13,17H2,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/t21-;13-,14-/m10/s1

HIDE SMILES / InChI

Molecular Formula	C18H14O8
Molecular Weight	358.299
Charge	0
Count

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

Molecular Formula	C23H32N6OSi
Molecular Weight	436.6253
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:22:12 GMT 2023` Edited by `admin` on `Sat Dec 16 20:22:12 GMT 2023`
Record UNII	5ZD49H6XT7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid, (βR)-

Systematic Name

English

(βR)-β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (+)-dibenzoyltartaric acid

Systematic Name

English

(R)-3-cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile (2S,3S)-2,3-bis(benzoyloxy)succinate

Systematic Name

English

Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-, compd. with (βR)-β-cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

134714823

Created by admin on Sat Dec 16 20:22:12 GMT 2023 , Edited by admin on Sat Dec 16 20:22:12 GMT 2023

PRIMARY

FDA UNII

5ZD49H6XT7

Created by admin on Sat Dec 16 20:22:12 GMT 2023 , Edited by admin on Sat Dec 16 20:22:12 GMT 2023

PRIMARY

CAS

1236033-04-7

Created by admin on Sat Dec 16 20:22:12 GMT 2023 , Edited by admin on Sat Dec 16 20:22:12 GMT 2023

PRIMARY

Related Record Type Details


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β-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile, (βR)-

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