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JAB-2485 5mg

CAT: 0628-A24086-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A24086-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2899209-55-1

Chemical Information

(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[5-fluoro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CAS Number2899209-55-1
PubChem CID163303906
IUPAC Name(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[5-fluoro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
Molecular FormulaC25H28ClF2N5O2
Molecular Weight504.0
XLogP2.8
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity738
SMILES
C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=NC(=C(C(=C3)C)F)NC4=NNC(=C4)C)C(=O)O
InChI
InChI=1S/C25H28ClF2N5O2/c1-14-9-18(29-23(21(14)27)30-20-10-15(2)31-32-20)12-25(24(34)35)7-8-33(16(3)11-25)13-17-5-4-6-19(26)22(17)28/h4-6,9-10,16H,7-8,11-13H2,1-3H3,(H,34,35)(H2,29,30,31,32)/t16-,25-/m1/s1
InChIKey
CEONSWRDFKMFNM-PUAOIOHZSA-N
Chemical Structure
2D Structure
2D structure of (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[5-fluoro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CAS: 2899209-55-1
CID: 163303906
Formula: C25H28ClF2N5O2
MW: 504.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.0
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass503.1899592
Monoisotopic Mass503.1899592
Topological Polar Surface Area94.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity738
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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