JAK-IN-25

CAT: 0607-BA4938-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4938-25Size:25 mg

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

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CAS Number

2127110-22-7

Form

A solid

Molecular Formula

C19H17N5O4

Molecular Weight

379.37

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Jak-IN-25

CAS Number	2127110-22-7
PubChem CID	130339262
IUPAC Name	methyl 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
Molecular Formula	C19H17N5O4
Molecular Weight	379.4
XLogP	1.4
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	634

SMILES

COC1=CC=C(C=C1)CN2C=C(C=N2)C3=CN4C(=CC(=N4)C(=O)OC)C(=O)N3

InChI

InChI=1S/C19H17N5O4/c1-27-14-5-3-12(4-6-14)9-23-10-13(8-20-23)16-11-24-17(18(25)21-16)7-15(22-24)19(26)28-2/h3-8,10-11H,9H2,1-2H3,(H,21,25)

InChIKey

KJSUDTXSTRQSEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2127110-22-7

CID: 130339262

Formula: C19H17N5O4

MW: 379.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.4
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	379.12805404
Monoisotopic Mass	379.12805404
Topological Polar Surface Area	100 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	634
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