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ABT-279

ABT-279 structure

CAS No:
676559-83-4
Formula:
C21H25N5O3
Chemical Name:
ABT-279
Synonyms:
2-(4-((2-(2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)-4-pyridinecarboxylic acid;ABT 279;ABT-279;ABT279;UNII-L094VD806K;L094VD806K;4-Pyridinecarboxylic acid, 2-(4-((2-((2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)-;2-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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ABT-279 Basic Attributes

Molecular Weight：

395.463

Exact Mass：

395.196

UNII：

L094VD806K

DSSTox ID：

DTXSID20217971

Characteristics

PSA：

110

XLogP3：

-1.1

Density：

1.32

Drug Information

MeSH Entry Terms：

2-(4-((2-(2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)-4-pyridinecarboxylic acid

Computed Properties

Molecular Weight:395.5
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:395.19573968
Monoisotopic Mass:395.19573968
Topological Polar Surface Area:110
Heavy Atom Count:29
Complexity:727
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes