Metabolite Leniolisib M43 metabolite

Name
Leniolisib M43 metabolite
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 325.295
Monoisotopic: 325.11504458
Chemical Formula
C14H14F3N5O
InChI Key
CXWIPLRSXWINQI-UHFFFAOYSA-N
InChI
InChI=1S/C14H14F3N5O/c1-23-13-10(14(15,16)17)4-8(5-19-13)22-3-2-11-9(6-22)12(18)21-7-20-11/h4-5,7H,2-3,6H2,1H3,(H2,18,20,21)
IUPAC Name
6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine
SMILES
COC1=NC=C(C=C1C(F)(F)F)N1CCC2=NC=NC(N)=C2C1
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
logP1.81Chemaxon
pKa (Strongest Basic)5.58Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area77.16 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity80.1 m3·mol-1Chemaxon
Polarizability29.68 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon