Lerociclib
4-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
Molecular Identity
Lerociclib
4-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
PubChem CID: 86269224
2D Structure
Properties
C26H34N8O
Molecular Formula
474.60
Molecular Weight
g/mol
474.2856
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
91.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
750
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6Isomeric SMILES
SMILES: CC(C)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6Synonyms(20)
LerociclibG1T38G1T38 free baseG1T-38Lerociclib [USAN]WBH8AY6ENBLerociclib (USAN)UNII-WBH8AY6ENBLEROCICLIB [INN]LEROCICLIB [WHO-DD]4-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-oneexample GG [US9464092B2]7',8'-Dihydro-2'-((5-(4-(1-methylethyl)-1-piperazinyl)-2-pyridinyl)amino)spiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-oneSpiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-(1-methylethyl)-1-piperazinyl)-2-pyridinyl)amino)-example GG (US9464092B2)
Data from PubChem (NCBI)
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