JNJ 42153605 2mg

CAT: 0628-A14330-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A14330-2Size:2 mg

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

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CAS Number

1254977-87-1

Chemical Information

Jnj-42153605

CAS Number	1254977-87-1
PubChem CID	49765871
IUPAC Name	3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Molecular Formula	C22H23F3N4
Molecular Weight	400.4
XLogP	5.8
Topological Polar Surface Area	33.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	553

SMILES

C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)N4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2

InChIKey

BQAVZGJJQFJSMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1254977-87-1

CID: 49765871

Formula: C22H23F3N4

MW: 400.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.4
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	400.18748124
Monoisotopic Mass	400.18748124
Topological Polar Surface Area	33.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	553
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-18162-01	JNJ-42153605
MBS3840306-01	JNJ 42153605