JNJ19567470 5mg

CAT: 0628-A24293-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A24293-5Size:5 mg

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CAS Number

724471-26-5

Chemical Information

4-Piperidinemethanol, 1-(7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-yl)-

CAS Number	724471-26-5
PubChem CID	10478567
IUPAC Name	[1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methanol
Molecular Formula	C22H27BrN4O
Molecular Weight	443.4
XLogP	5
Topological Polar Surface Area	54.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	517

SMILES

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCC(CC4)CO)C)C)C)Br

InChI

InChI=1S/C22H27BrN4O/c1-13-9-18(23)10-14(2)20(13)27-11-15(3)19-21(24-16(4)25-22(19)27)26-7-5-17(12-28)6-8-26/h9-11,17,28H,5-8,12H2,1-4H3

InChIKey

GGRHUOGLCCJDDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 724471-26-5

CID: 10478567

Formula: C22H27BrN4O

MW: 443.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	443.4
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	442.13682
Monoisotopic Mass	442.13682
Topological Polar Surface Area	54.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	517
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

Catalog	Name
HY-107095	JNJ19567470