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2D Structure
Also known as: 2939850-17-4, Balomenib [inn], 3beg4bwn8e, Schembl30405225, Gtpl13734, Bdbm742485
Molecular Formula
C33H34F3N7O2
Molecular Weight
617.7  g/mol
InChI Key
GTFGTNVSMRVPEN-VWLOTQADSA-N
FDA UNII
3BEG4BWN8E

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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
2.1.2 InChI
InChI=1S/C33H34F3N7O2/c1-21-23(3-5-29-26(21)11-24(13-37)43(29)16-25-14-38-30(44)17-45-25)15-41-8-6-32(7-9-41)18-42(19-32)31-27-10-22(12-33(34,35)36)2-4-28(27)39-20-40-31/h2-5,10-11,20,25H,6-9,12,14-19H2,1H3,(H,38,44)/t25-/m0/s1
2.1.3 InChI Key
GTFGTNVSMRVPEN-VWLOTQADSA-N
2.2 Other Identifiers
2.2.1 UNII
3BEG4BWN8E
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2939850-17-4

2. Balomenib [inn]

3. 3beg4bwn8e

4. Schembl30405225

5. Gtpl13734

6. Bdbm742485

7. Ex-a12708

8. Us20250163061, Compound 102

9. Ze63-0302

10. 1h-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]-

11. 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

12. 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

13. 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)-1h-indole-2-carbonitrile

2.4 Create Date
2024-11-01
3 Chemical and Physical Properties
Molecular Weight 617.7 g/mol
Molecular Formula C33H34F3N7O2
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area99.3
Heavy Atom Count45
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1