Risovalisib
methyl N-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate
Molecular Identity
Risovalisib
methyl N-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamate
PubChem CID: 72550012
2D Structure
Properties
C24H29F3N8O5S
Molecular Formula
598.60
Molecular Weight
g/mol
598.1934
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
143
TPSA
May have limited oral absorption
1
H-Bond Donors
14
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)NC1=NC=C(C(=C1)C(F)(F)F)C2=NN3C=C(C=C3C(=N2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)CIsomeric SMILES
SMILES: COC(=O)NC1=NC=C(C(=C1)C(F)(F)F)C2=NN3C=C(C=C3C(=N2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)CSynonyms(20)
Risovalisib1494684-28-4CYH-33RCA38L4HB5CYH 33Carbamic acid, N-(5-(6-((4-(methylsulfonyl)-1-piperazinyl)methyl)-4-(4-morpholinyl)pyrrolo(2,1-F)(1,2,4)triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl)-, methyl esterMethyl N-(5-(6-((4-(methylsulfonyl)-1-piperazinyl)methyl)-4-(4-morpholinyl)pyrrolo(2,1-F)(1,2,4)triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl)carbamateCarbamic acid, N-[5-[6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]-, methyl esterMethyl N-[5-[6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]carbamateRefChem:1098130CYH33UNII-RCA38L4HB5risovalisib [INN]Risovalisib (INN)methyl N-[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-yl]carbamate
Data from PubChem (NCBI)
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