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GLPG3970

CAT: 0127-BUP03571-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03571-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2403733-82-2
Purity
=98%
Smiles
O=C1C=2C(OC)=CC(=CC2CCN1CC(F)(F)F)C3=CN=C4C=C(OCCN5CCOCC5)C=CN43

Chemical Information

UA6B2TI4MO
CAS Number2403733-82-2
PubChem CID146273261
IUPAC Name8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
Molecular FormulaC25H27F3N4O4
Molecular Weight504.5
XLogP3.6
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity753
SMILES
COC1=CC(=CC2=C1C(=O)N(CC2)CC(F)(F)F)C3=CN=C4N3C=CC(=C4)OCCN5CCOCC5
InChI
InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3
InChIKey
XASOHFCUIQARJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UA6B2TI4MO
CAS: 2403733-82-2
CID: 146273261
Formula: C25H27F3N4O4
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass504.19843984
Monoisotopic Mass504.19843984
Topological Polar Surface Area68.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity753
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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