CHEMBL3262623
C₂₂H₂₃ClN₆O·422.900 g/mol·CID 90656286
IUPAC: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-8-[(3-chloro-1H-indol-7-yl)amino]-2H-2,7-naphthyridin-1-one
Also known as: BDBM50013171
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
422.900g/mol
Exact Mass
422.162187Da
Monoisotopic Mass
422.162187Da
XLogP
4.2
Polar Surface Area
108.0Ų
Complexity
662
Formal Charge
0
H-Bond Donors
5
H-Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
30
Stereo Centers
2
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 422.9 g/mol
MW ≤ 500
✓ 4.2
LogP ≤ 5
✓ 5
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN6O/c23-14-11-26-20-13(14)4-3-7-17(20)28-21-19-12(8-9-25-22(19)30)10-18(29-21)27-16-6-2-1-5-15(16)24/h3-4,7-11,15-16,26H,1-2,5-6,24H2,(H,25,30)(H2,27,28,29)/t15-,16+/m0/s1