JAK-IN-14

CAT: 0607-BA4919-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA4919-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

1973485-06-1

Form

A solid

Molecular Formula

C19H15FN4O

Molecular Weight

334.35

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Jak-IN-14

CAS Number	1973485-06-1
PubChem CID	122462783
IUPAC Name	N-[5-[4-(cyanomethyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
Molecular Formula	C19H15FN4O
Molecular Weight	334.3
XLogP	3.1
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	557

SMILES

C1CC1C(=O)NC2=CN3C(=N2)C=CC=C3C4=C(C=C(C=C4)CC#N)F

InChI

InChI=1S/C19H15FN4O/c20-15-10-12(8-9-21)4-7-14(15)16-2-1-3-18-22-17(11-24(16)18)23-19(25)13-5-6-13/h1-4,7,10-11,13H,5-6,8H2,(H,23,25)

InChIKey

MQLCYDOEKWSOBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1973485-06-1

CID: 122462783

Formula: C19H15FN4O

MW: 334.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.3
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	334.12298928
Monoisotopic Mass	334.12298928
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	557
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes