IACS-13909

CAT: 0607-BA8095-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8095-1Size:1 mg

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CAS Number

2160546-07-4

Form

A solid

Molecular Formula

C17H18Cl2N6

Molecular Weight

377.27

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

CAS Number	2160546-07-4
PubChem CID	132166923
IUPAC Name	1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
Molecular Formula	C17H18Cl2N6
Molecular Weight	377.3
XLogP	3
Topological Polar Surface Area	83.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	472

SMILES

CC1(CCN(CC1)C2=NC3=NNC(=C3N=C2)C4=C(C(=CC=C4)Cl)Cl)N

InChI

InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)

InChIKey

AMADCPJVPLUGQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2160546-07-4

CID: 132166923

Formula: C17H18Cl2N6

MW: 377.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.3
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	376.0970000
Monoisotopic Mass	376.0970000
Topological Polar Surface Area	83.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	472
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