GKT136901 hydrochloride

CAT: 0926-EAC50701Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-EAC50701Size:100 mg

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CAS Number

1254507-01-1

Smiles

COC1=CC=C (C=C1) C (C2=NC (=NN2) C3=CC (=CC=C3) F) N

Molecular Formula

C19H20Cl2N4O2

Molecular Weight

407.3 g/mol

Controlled

Chemical Information

GKT136901 (hydrochloride)

CAS Number	1254507-01-1
PubChem CID	155977664
IUPAC Name	2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione;hydrochloride
Molecular Formula	C19H16Cl2N4O2
Molecular Weight	403.3
Topological Polar Surface Area	65.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	674

SMILES

CC1=C2C(=CC(=O)N1CC3=CC=CC=N3)NN(C2=O)C4=CC=CC=C4Cl.Cl

InChI

InChI=1S/C19H15ClN4O2.ClH/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20;/h2-10,22H,11H2,1H3;1H

InChIKey

BIXDBKGUQPCHLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1254507-01-1

CID: 155977664

Formula: C19H16Cl2N4O2

MW: 403.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	402.0650312
Monoisotopic Mass	402.0650312
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	674
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19189784	GKT136901 hydrochloride
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HY-101499R-01	GKT136901 (Standard)
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