3-([4,7?-Bi-7H-pyrrolo[2,3-d]pyrimidin]-4?-ylmethylamino)-4-methyl-?-oxo-1-piperidinepropanenitrile, (3R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23N9O
Molecular Weight	429.4777
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-([4,7?-Bi-7H-pyrrolo[2,3-d]pyrimidin]-4?-ylmethylamino)-4-methyl-?-oxo-1-piperidinepropanenitrile, (3R,4R)-

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3C4=NC=NC5=C4C=CN5)C(=O)CC#N

InChI

InChIKey=ASPWUTLKCKTSFM-PBHICJAKSA-N

InChI=1S/C22H23N9O/c1-14-5-9-30(18(32)3-7-23)11-17(14)29(2)20-16-6-10-31(22(16)28-13-26-20)21-15-4-8-24-19(15)25-12-27-21/h4,6,8,10,12-14,17H,3,5,9,11H2,1-2H3,(H,24,25,27)/t14-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H23N9O
Molecular Weight	429.4777
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 19:28:32 GMT 2025` Edited by `admin` on `Wed Apr 02 19:28:32 GMT 2025`
Record UNII	U6N2759SSU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,4R)-3-([4,7?-Bi-7H-pyrrolo[2,3-d]pyrimidin]-4?-ylmethylamino)-4-methyl-?-oxo-1-piperidinepropanenitrile

Preferred Name

English

3-([4,7?-Bi-7H-pyrrolo[2,3-d]pyrimidin]-4?-ylmethylamino)-4-methyl-?-oxo-1-piperidinepropanenitrile, (3R,4R)-

Systematic Name

English

1-Piperidinepropanenitrile, 3-([4,7?-bi-7H-pyrrolo[2,3-d]pyrimidin]-4?-ylmethylamino)-4-methyl-?-oxo-, (3R,4R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

163203209

Created by admin on Wed Apr 02 19:28:32 GMT 2025 , Edited by admin on Wed Apr 02 19:28:32 GMT 2025

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FDA UNII

U6N2759SSU

Created by admin on Wed Apr 02 19:28:32 GMT 2025 , Edited by admin on Wed Apr 02 19:28:32 GMT 2025

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CAS

2504210-48-2

Created by admin on Wed Apr 02 19:28:32 GMT 2025 , Edited by admin on Wed Apr 02 19:28:32 GMT 2025

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