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JNJ-46281222

CAT: 0607-BA5579-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5579-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1254980-38-5
Form
A solid
Molecular Formula
C23H25F3N4
Molecular Weight
414.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3-(Cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine

structure in first source

CAS Number1254980-38-5
PubChem CID49822115
IUPAC Name3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Molecular FormulaC23H25F3N4
Molecular Weight414.5
XLogP5.5
Topological Polar Surface Area33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity567
SMILES
C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)CN4CCC(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2
InChIKey
LYDKDODJIBQNLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine
CAS: 1254980-38-5
CID: 49822115
Formula: C23H25F3N4
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass414.20313130
Monoisotopic Mass414.20313130
Topological Polar Surface Area33.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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