JX040

CAT: 0013-GTR19200163-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19200163-03Size:100 mg

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

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Description

JX040

CAS Number

1089596-75-7

Field of Research

Infectious Disease & Virology

Smiles

C (C) (C) N1C=2C (=C (C (NC3=CC=CC=N3) =O) C=C (N2) C4=CC=CS4) C=N1

Molecular Formula

C19H17N5OS

Molecular Weight

363.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

1-isopropyl-N-(pyridin-2-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

CAS Number	1089596-75-7
PubChem CID	36931909
IUPAC Name	1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
Molecular Formula	C19H17N5OS
Molecular Weight	363.4
XLogP	3
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	504

SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C19H17N5OS/c1-12(2)24-18-14(11-21-24)13(10-15(22-18)16-6-5-9-26-16)19(25)23-17-7-3-4-8-20-17/h3-12H,1-2H3,(H,20,23,25)

InChIKey

ZBXQJUDGXUEWEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1089596-75-7

CID: 36931909

Formula: C19H17N5OS

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	363.11538136
Monoisotopic Mass	363.11538136
Topological Polar Surface Area	101 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	504
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

Catalog	Name
MBS5773984	JX040