PF-04217903 5mg

CAT: 0628-A10711-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A10711-5Size:5 mg

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CAS Number

956905-27-4

Chemical Information

Pf-04217903

2-[4-[3-(6-quinolinylmethyl)-5-triazolo[4,5-b]pyrazinyl]-1-pyrazolyl]ethanol is a member of quinolines.

CAS Number	956905-27-4
PubChem CID	17754438
IUPAC Name	2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
Molecular Formula	C19H16N8O
Molecular Weight	372.4
XLogP	0.7
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	524

SMILES

C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1

InChI

InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2

InChIKey

PDMUGYOXRHVNMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 956905-27-4

CID: 17754438

Formula: C19H16N8O

MW: 372.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.4
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	372.14470716
Monoisotopic Mass	372.14470716
Topological Polar Surface Area	107 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	524
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
A5096-5	PF-04217903