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TP-004

CAT: 0013-GTR19204604-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204604-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TP-004
CAS Number
1454299-21-8
Field of Research
Metabolism Research
Smiles
Cc1nc (ncc1-c1cc (cc2[nH]ncc12) C (F) (F) F) N1CC[C@@H] (O) C1
Molecular Formula
C17H16F3N5O
Molecular Weight
363.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-1-(4-Methyl-5-(6-(trifluoromethyl)-1H-indazol-4-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CAS Number1454299-21-8
PubChem CID89794927
IUPAC Name(3R)-1-[4-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyrimidin-2-yl]pyrrolidin-3-ol
Molecular FormulaC17H16F3N5O
Molecular Weight363.34
XLogP2.7
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity507
SMILES
CC1=NC(=NC=C1C2=C3C=NNC3=CC(=C2)C(F)(F)F)N4CC[C@H](C4)O
InChI
InChI=1S/C17H16F3N5O/c1-9-13(6-21-16(23-9)25-3-2-11(26)8-25)12-4-10(17(18,19)20)5-15-14(12)7-22-24-15/h4-7,11,26H,2-3,8H2,1H3,(H,22,24)/t11-/m1/s1
InChIKey
BNTAEJNPQLMGDJ-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (R)-1-(4-Methyl-5-(6-(trifluoromethyl)-1H-indazol-4-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CAS: 1454299-21-8
CID: 89794927
Formula: C17H16F3N5O
MW: 363.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.34
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass363.13069464
Monoisotopic Mass363.13069464
Topological Polar Surface Area77.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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