Balomenib
4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indole-2-carbonitrile
Molecular Identity
Balomenib
4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indole-2-carbonitrile
PubChem CID: 172395801
2D Structure
Properties
C33H34F3N7O2
Molecular Formula
617.70
Molecular Weight
g/mol
617.2726
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
99.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC2=C1C=C(N2CC3CNC(=O)CO3)C#N)CN4CCC5(CC4)CN(C5)C6=NC=NC7=C6C=C(C=C7)CC(F)(F)FIsomeric SMILES
SMILES: CC1=C(C=CC2=C1C=C(N2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC5(CC4)CN(C5)C6=NC=NC7=C6C=C(C=C7)CC(F)(F)FSynonyms(16)
Balomenib2939850-17-44-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indole-2-carbonitrilebalomenib [INN]3BEG4BWN8Eorb3028640SCHEMBL30405225GTPL13734BDBM742485EX-A12708US20250163061, Compound 102ZE63-0302T2064881H-Indole-2-carbonitrile, 4-methyl-1-[[(2S)-5-oxo-2-morpholinyl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)-4-quinazolinyl]-2,7-diazaspiro[3.5]non-7-yl]methyl]-4-methyl-1-[(2S)-5- oxomorpholin-2- yl]methyl]-5- [[2-[6-(2,2,2- trifluoroethyl) quinazolin-4-yl]-2,7- diazaspiro[3.5]nonan- 7-yl]methyl]indole-2- carbonitrile Example 46
Data from PubChem (NCBI)
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