Ethyl (3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25N5O3
Molecular Weight	359.4228
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanoate

Structure Search

SMILES

CCOC(=O)CC(=O)N1CC[C@@H](C)[C@H](C1)N(C)C2=C3C=CNC3=NC=N2

InChI

InChIKey=NLQJYLLAHBDQCX-OCCSQVGLSA-N

InChI=1S/C18H25N5O3/c1-4-26-16(25)9-15(24)23-8-6-12(2)14(10-23)22(3)18-13-5-7-19-17(13)20-11-21-18/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,19,20,21)/t12-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25N5O3
Molecular Weight	359.4228
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 19:01:02 GMT 2023` Edited by `admin` on `Sat Dec 16 19:01:02 GMT 2023`
Record UNII	C6LBV2WY8D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanoate

Systematic Name

English

1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, ethyl ester, (3R,4R)-

Systematic Name

English

ethyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

123131813

Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023

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FDA UNII

C6LBV2WY8D

Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023

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CAS

1675248-18-6

Created by admin on Sat Dec 16 19:01:02 GMT 2023 , Edited by admin on Sat Dec 16 19:01:02 GMT 2023

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