Eganelisib (IPI-549) 50mg

CAT: 0628-A16332-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A16332-50Size:50 mg

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CAS Number

1693758-51-8

Chemical Information

Eganelisib

IPI-549 is under investigation in clinical trial NCT03795610 (Window of Opportunity Study of IPI-549 in Patients With Locally Advanced HPV+ and HPV- Head and Neck Squamous Cell Carcinoma).

CAS Number	1693758-51-8
PubChem CID	91933883
IUPAC Name	2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular Formula	C30H24N8O2
Molecular Weight	528.6
XLogP	3.2
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	40
Formal Charge	0
Complexity	1060

SMILES

C[C@@H](C1=CC2=C(C(=CC=C2)C#CC3=CN(N=C3)C)C(=O)N1C4=CC=CC=C4)NC(=O)C5=C6N=CC=CN6N=C5N

InChI

InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1

InChIKey

XUMALORDVCFWKV-IBGZPJMESA-N

Chemical Structure

2D Structure

CAS: 1693758-51-8

CID: 91933883

Formula: C30H24N8O2

MW: 528.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	528.6
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	528.20222204
Monoisotopic Mass	528.20222204
Topological Polar Surface Area	123 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Alternative Products

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S8330-10mM/1mL	Eganelisib (IPI-549)
DLL-0015-A1-10ML	Eganelisib (IPI-549) Liposomes, Formulation WNX5.2
MBS131565	IPI549 (IPI-549; IPI 549)
452441-01	IPI 549
MBS3602582-01	IPI-549
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Eganelisib (IPI-549) 50mg

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