N-((3R,4R)-1-BENZYL-4-METHYLPIPERIDIN-3-YL)-N-METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25N5
Molecular Weight	335.446
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-((3R,4R)-1-BENZYL-4-METHYLPIPERIDIN-3-YL)-N-METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE

Structure Search

SMILES

C[C@@H]1CCN(CC2=CC=CC=C2)C[C@@H]1N(C)C3=NC=NC4=C3C=CN4

InChI

InChIKey=UMWNXPTXDOVDFE-QAPCUYQASA-N

InChI=1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25N5
Molecular Weight	335.446
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 `Sat Dec 16 19:03:46 GMT 2023` Edited by `admin` on `Sat Dec 16 19:03:46 GMT 2023`
Record UNII	K35A6384QD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-((3R,4R)-1-BENZYL-4-METHYLPIPERIDIN-3-YL)-N-METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE

Systematic Name

English

TOFACITINIB DES-(N-OXOPROPANENITRILE)-N-METHYLBENZYL

Common Name

English

TOFACITINIB BENZYL ANALOG

Common Name

English

7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE, N-METHYL-N-((3R,4R)-4-METHYL-1-(PHENYLMETHYL)-3-PIPERIDINYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

49856703

Created by admin on Sat Dec 16 19:03:46 GMT 2023 , Edited by admin on Sat Dec 16 19:03:46 GMT 2023

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CAS

477600-73-0

Created by admin on Sat Dec 16 19:03:46 GMT 2023 , Edited by admin on Sat Dec 16 19:03:46 GMT 2023

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EPA CompTox

DTXSID30678791

Created by admin on Sat Dec 16 19:03:46 GMT 2023 , Edited by admin on Sat Dec 16 19:03:46 GMT 2023

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FDA UNII

K35A6384QD

Created by admin on Sat Dec 16 19:03:46 GMT 2023 , Edited by admin on Sat Dec 16 19:03:46 GMT 2023

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