GNE-900 25mg

CAT: 0628-A14178-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A14178-25Size:25 mg

Selected

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

Quick Request Actions

CAS Number

1200126-26-6

Chemical Information

3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

CAS Number	1200126-26-6
PubChem CID	44545757
IUPAC Name	12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
Molecular Formula	C23H21N5
Molecular Weight	367.4
XLogP	3.9
Topological Polar Surface Area	68.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	571

SMILES

C1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(NC5=C4C=C(N=C5)C#N)N=C3

InChI

InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)

InChIKey

PPYHOOZGDDPLKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1200126-26-6

CID: 44545757

Formula: C23H21N5

MW: 367.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.4
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	367.17969569
Monoisotopic Mass	367.17969569
Topological Polar Surface Area	68.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	571
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