PCI 29732 50mg

CAT: 0628-A16262-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A16262-50Size:50 mg

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CAS Number

330786-25-9

Chemical Information

Pci 29732

1-Cyclopentyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is an aromatic ether.

CAS Number	330786-25-9
PubChem CID	22347110
IUPAC Name	1-cyclopentyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula	C22H21N5O
Molecular Weight	371.4
XLogP	4.2
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	499

SMILES

C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChI

InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25)

InChIKey

GMJUPMONHWAZCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330786-25-9

CID: 22347110

Formula: C22H21N5O

MW: 371.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	371.17461031
Monoisotopic Mass	371.17461031
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	499
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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