GNE-8505

CAT: 0607-BA6476-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6476-1Size:1 mg

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

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CAS Number

1620573-48-9

Form

A solid

Molecular Formula

C21H24F3N5O

Molecular Weight

419.44

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

example 152 [WO2014111496]

CAS Number	1620573-48-9
PubChem CID	90292687
IUPAC Name	5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
Molecular Formula	C21H24F3N5O
Molecular Weight	419.4
XLogP	1.9
Topological Polar Surface Area	69.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	645

SMILES

C1CC1CN2C(=CC(=N2)C3=CC(=C(N=C3)N)C(F)(F)F)C4[C@H]5[C@@H]4CN(C5)C6COC6

InChI

InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19?

InChIKey

IRPVABHDSJVBNZ-RTHVDDQRSA-N

Chemical Structure

2D Structure

CAS: 1620573-48-9

CID: 90292687

Formula: C21H24F3N5O

MW: 419.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	419.4
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	419.19329489
Monoisotopic Mass	419.19329489
Topological Polar Surface Area	69.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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Alternative Products

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HY-114332-01	GNE-8505
A18672-50	GNE-8505 50mg
A18672-10	GNE-8505 10mg
A18672-25	GNE-8505 25mg
A18672-100	GNE-8505 100mg
A18672-1	GNE-8505 1mg
A18672-5	GNE-8505 5mg
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GNE-8505

Chemical Information

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