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GSK366A

CAT: 0013-GTR19197924-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197924-02Size:50 mg
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Description
GSK366A
CAS Number
1403602-59-4
Smiles
C (NCC1=CC=C (OC) C=C1) (=O) C2=C3N ([C@H] ([C@@] (F) (F) F) C[C@@H] (N3) C4=CC=C (CC) C=C4) N=C2
Molecular Formula
C24H25F3N4O2
Molecular Weight
458.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5r,7s)-5-(4-Ethylphenyl)-N-(4-Methoxybenzyl)-7-(Trifluoromethyl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrimidine-3-Carboxamide
CAS Number1403602-59-4
PubChem CID135567079
IUPAC Name(5R,7S)-5-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC24H25F3N4O2
Molecular Weight458.5
XLogP4.8
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity648
SMILES
CCC1=CC=C(C=C1)[C@H]2C[C@H](N3C(=C(C=N3)C(=O)NCC4=CC=C(C=C4)OC)N2)C(F)(F)F
InChI
InChI=1S/C24H25F3N4O2/c1-3-15-4-8-17(9-5-15)20-12-21(24(25,26)27)31-22(30-20)19(14-29-31)23(32)28-13-16-6-10-18(33-2)11-7-16/h4-11,14,20-21,30H,3,12-13H2,1-2H3,(H,28,32)/t20-,21+/m1/s1
InChIKey
YSDVNFWVVPHGFX-RTWAWAEBSA-N
Chemical Structure
2D Structure
2D structure of (5r,7s)-5-(4-Ethylphenyl)-N-(4-Methoxybenzyl)-7-(Trifluoromethyl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrimidine-3-Carboxamide
CAS: 1403602-59-4
CID: 135567079
Formula: C24H25F3N4O2
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass458.19296054
Monoisotopic Mass458.19296054
Topological Polar Surface Area68.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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