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BI-409306 200mg

CAT: 0628-A12970-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A12970-200Size:200 mg
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CAS Number
1189767-28-9

Chemical Information

Osoresnontrine

Osoresnontrine is under investigation in clinical trial NCT02281773 (A Study to Investigate the Efficacy, Safety and Tolerability of Four Different Doses of BI 409306 Compared to Placebo Given for 12 Weeks in Patients With Schizophrenia on Stable Antipsychotic Treatment.).

CAS Number1189767-28-9
PubChem CID135908617
IUPAC Name1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
Molecular FormulaC16H17N5O2
Molecular Weight311.34
XLogP0.2
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity477
SMILES
C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
InChI
InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
InChIKey
BZTIJCSHNVZMES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Osoresnontrine
CAS: 1189767-28-9
CID: 135908617
Formula: C16H17N5O2
MW: 311.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.34
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass311.13822480
Monoisotopic Mass311.13822480
Topological Polar Surface Area81.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity477
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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