AS1810722

CAT: 0607-BA6406-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6406-25Size:25 mg

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

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CAS Number

909561-15-5

Form

A solid

Molecular Formula

C25H25F2N7O

Molecular Weight

477.51

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-[4-[4-[[7-[(3,5-Difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetamide

CAS Number	909561-15-5
PubChem CID	44208030
IUPAC Name	2-[4-[4-[[7-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetamide
Molecular Formula	C25H25F2N7O
Molecular Weight	477.5
XLogP	3.2
Topological Polar Surface Area	92.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	691

SMILES

C1CN(CCN1CC(=O)N)C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)CC5=CC(=CC(=C5)F)F

InChI

InChI=1S/C25H25F2N7O/c26-19-11-17(12-20(27)13-19)15-34-6-5-18-14-29-25(31-24(18)34)30-21-1-3-22(4-2-21)33-9-7-32(8-10-33)16-23(28)35/h1-6,11-14H,7-10,15-16H2,(H2,28,35)(H,29,30,31)

InChIKey

IJFRMEXSGYTWGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 909561-15-5

CID: 44208030

Formula: C25H25F2N7O

MW: 477.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	477.20886477
Monoisotopic Mass	477.20886477
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	691
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

Alternative Products

Catalog	Name
GTR19154784-01	AS1810722

AS1810722

Chemical Information

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