CHEMBL3798632
C₂₂H₂₃ClN₆O·422.900 g/mol·CID 118395090
IUPAC: 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1,3,8-triazaspiro[4.5]decan-4-one
Also known as: SCHEMBL17113582, BDBM50163779, DB-114131, 1810721-14-2
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
422.900g/mol
Exact Mass
422.162187Da
Monoisotopic Mass
422.162187Da
XLogP
2.3
Polar Surface Area
75.1Ų
Complexity
619
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
30
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 422.9 g/mol
MW ≤ 500
✓ 2.3
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN6O/c1-28-13-17(10-27-28)15-2-4-16(5-3-15)18-11-24-12-19(23)20(18)29-8-6-22(7-9-29)21(30)25-14-26-22/h2-5,10-13,26H,6-9,14H2,1H3,(H,25,30)