SCHEMBL2301676
C₂₂H₂₃ClN₆O·422.900 g/mol·CID 46188600
IUPAC: 2-(4-chlorophenyl)-5-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
Also known as: CHEMBL3589147
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
422.900g/mol
Exact Mass
422.162187Da
Monoisotopic Mass
422.162187Da
XLogP
3.1
Polar Surface Area
57.5Ų
Complexity
627
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
30
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 422.9 g/mol
MW ≤ 500
✓ 3.1
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN6O/c1-26(2)19-9-10-27(14-19)20-8-7-18(11-24-20)28-12-15-13-29(25-21(15)22(28)30)17-5-3-16(23)4-6-17/h3-8,11,13,19H,9-10,12,14H2,1-2H3/t19-/m0/s1