CGP77675

CAT: 0127-BUP11566-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11566-05Size:25 mg

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CAS Number

234772-64-6

Synonyms

CGP-77675, 1- (4- (4-amino-5- (3-methoxyphenyl) -7H-pyrrolo[2,3-d]pyrimidin-7-yl) phenethyl) piperidin-4-ol, ZINC1488120, CGP 77675

Purity

=98%

Smiles

NC1=C2C(=CN(C2=NC=N1)C3=CC=C(CCN4CCC(O)CC4)C=C3)C5=CC(OC)=CC=C5

Chemical Information

Cgp-77675

belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source

CAS Number	234772-64-6
PubChem CID	5311381
IUPAC Name	1-[2-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]ethyl]piperidin-4-ol
Molecular Formula	C26H29N5O2
Molecular Weight	443.5
XLogP	3.7
Topological Polar Surface Area	89.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	607

SMILES

COC1=CC=CC(=C1)C2=CN(C3=NC=NC(=C23)N)C4=CC=C(C=C4)CCN5CCC(CC5)O

InChI

InChI=1S/C26H29N5O2/c1-33-22-4-2-3-19(15-22)23-16-31(26-24(23)25(27)28-17-29-26)20-7-5-18(6-8-20)9-12-30-13-10-21(32)11-14-30/h2-8,15-17,21,32H,9-14H2,1H3,(H2,27,28,29)

InChIKey

WUPXZZWTHIZICK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 234772-64-6

CID: 5311381

Formula: C26H29N5O2

MW: 443.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.5
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	443.23212518
Monoisotopic Mass	443.23212518
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	607
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
GTR19171478-01	CGP77675
A13821-100	CGP77675 100mg
A13821-25	CGP77675 25mg
A13821-1	CGP77675 1mg
A13821-50	CGP77675 50mg
MBS5802418	CGP77675 hydrate
A13821-10	CGP77675 10mg
A13821-2	CGP77675 2mg
HY-W062835A	CGP77675 (hydrate)
A13821-5	CGP77675 5mg

CGP77675

Chemical Information

Alternative Products

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