AZ9482

CAT: 0127-BUP03709-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03709-02Size:10 mg

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

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CAS Number

1825345-33-2

Purity

=98%

Smiles

O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

Chemical Information

2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile

CAS Number	1825345-33-2
PubChem CID	92045137
IUPAC Name	2-[4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular Formula	C26H22N6O2
Molecular Weight	450.5
XLogP	2.6
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	841

SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)

InChIKey

ZDDPBFWHZOJFHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1825345-33-2

CID: 92045137

Formula: C26H22N6O2

MW: 450.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	450.5
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	450.18042397
Monoisotopic Mass	450.18042397
Topological Polar Surface Area	102 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	841
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

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Catalog	Name
GW4253-10mg	AZ9482

AZ9482

Chemical Information

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