Name: Name:3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile
Brand: Angene
SKU: AG00ABHF
Rating: 90 (10 reviews)

3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile

CAS No.:

1616761-00-2

Catalog Number:

AG00ABHF

Molecular Formula:

C16H19ClN6O

Molecular Weight:

346.8147

Catalog Number:

AG00ABHF

Chemical Name:

3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile

CAS Number:

1616761-00-2

Molecular Formula:

C16H19ClN6O

Molecular Weight:

346.8147

MDL Number:

MFCD26967971

IUPAC Name:

3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile

InChI:

InChI=1S/C16H19ClN6O/c1-10-5-8-23(13(24)3-6-18)9-12(10)22(2)15-11-4-7-19-14(11)20-16(17)21-15/h4,7,10,12H,3,5,8-9H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1

InChI Key:

PBBKAMYFZVSJCI-PWSUYJOCSA-N

SMILES:

N#CCC(=O)N1CC[C@H]([C@H](C1)N(c1nc(Cl)nc2c1cc[nH]2)C)C

Complexity:

522

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.819g/mol

Monoisotopic Mass:

346.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5