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BMS-986463

CAT: 0957-E6553-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E6553-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WEE1
CAS Number
3025467-07-3
Molecular Formula
C32H33FN4O5 323345

Chemical Information

CID 170708061
CAS Number3025467-07-3
PubChem CID170708061
IUPAC Name(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC32H33FN4O5
Molecular Weight572.6
XLogP2.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1020
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)O[C@H]4CCN(C4)CC5=CC(=C6C(=C5)C=CC(=N6)C7CCOCC7)F
InChI
InChI=1S/C32H33FN4O5/c33-26-14-19(13-21-1-4-27(34-30(21)26)20-8-11-41-12-9-20)16-36-10-7-24(18-36)42-23-2-3-25-22(15-23)17-37(32(25)40)28-5-6-29(38)35-31(28)39/h1-4,13-15,20,24,28H,5-12,16-18H2,(H,35,38,39)/t24-,28-/m0/s1
InChIKey
JPTNRZBZSUZXCS-CUBQBAPOSA-N
Chemical Structure
2D Structure
2D structure of CID 170708061
CAS: 3025467-07-3
CID: 170708061
Formula: C32H33FN4O5
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass572.24349833
Monoisotopic Mass572.24349833
Topological Polar Surface Area101 Ų
Heavy Atom Count42
Formal Charge0
Complexity1020
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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