GSK-3685032

CAT: 0607-BA4642-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4642-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2170137-61-6

Form

A solid

Molecular Formula

C22H24N6OS

Molecular Weight

420.53

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-((6-(4-Aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl)thio)-2-phenylacetamide

CAS Number	2170137-61-6
PubChem CID	132233067
IUPAC Name	2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]sulfanyl]-2-phenylacetamide
Molecular Formula	C22H24N6OS
Molecular Weight	420.5
XLogP	2.6
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	684

SMILES

CCC1=C(C(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)N)N3CCC(CC3)N)C#N

InChI

InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)

InChIKey

KNKHRZYILDZLRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2170137-61-6

CID: 132233067

Formula: C22H24N6OS

MW: 420.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	420.5
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	420.17323058
Monoisotopic Mass	420.17323058
Topological Polar Surface Area	158 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes