AKT-IN-6

CAT: 0607-BA8682-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8682-5Size:5 mg

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CAS Number

1430056-54-4

Form

A solid

Molecular Formula

C22H20FN5O

Molecular Weight

389.43

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Akt-IN-6

CAS Number	1430056-54-4
PubChem CID	89499684
IUPAC Name	5-[2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-1-oxo-3H-isoindol-5-yl]-1-methylpyrazole-4-carbonitrile
Molecular Formula	C22H20FN5O
Molecular Weight	389.4
XLogP	1.8
Topological Polar Surface Area	87.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	650

SMILES

CN1C(=C(C=N1)C#N)C2=CC3=C(C=C2)C(=O)N(C3)[C@@H](CC4=CC(=CC=C4)F)CN

InChI

InChI=1S/C22H20FN5O/c1-27-21(17(10-24)12-26-27)15-5-6-20-16(9-15)13-28(22(20)29)19(11-25)8-14-3-2-4-18(23)7-14/h2-7,9,12,19H,8,11,13,25H2,1H3/t19-/m0/s1

InChIKey

QXRHOURHCGFDIM-IBGZPJMESA-N

Chemical Structure

2D Structure

CAS: 1430056-54-4

CID: 89499684

Formula: C22H20FN5O

MW: 389.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	389.4
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	389.16518844
Monoisotopic Mass	389.16518844
Topological Polar Surface Area	87.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	650
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AKT-IN-6

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