CHEMBL3622118
C₂₂H₂₃ClN₆O·422.900 g/mol·CID 118054978
IUPAC: N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
Also known as: SCHEMBL16691274, BDBM50121373
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
422.900g/mol
Exact Mass
422.162187Da
Monoisotopic Mass
422.162187Da
XLogP
4.5
Polar Surface Area
66.4Ų
Complexity
542
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
7
Rotatable Bonds
4
Heavy Atoms
30
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 422.9 g/mol
MW ≤ 500
✓ 4.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 7
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN6O/c23-20-14-18(6-9-24-20)28-10-7-16(8-11-28)26-22-25-15-19-21(27-22)29(12-13-30-19)17-4-2-1-3-5-17/h1-6,9,14-16H,7-8,10-13H2,(H,25,26,27)