Icovamenib
N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
Molecular Identity
Icovamenib
N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID: 154988914
2D Structure
Properties
C31H34N8O3
Molecular Formula
566.70
Molecular Weight
g/mol
566.2754
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
924
Complexity
SMILES
Canonical SMILES
SMILES: C=CC(=O)NC1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6Isomeric SMILES
SMILES: C=CC(=O)N[C@@H]1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6Synonyms(20)
Icovamenib2448172-22-12Z737MY35ARefChem:1087149Menin-MLL inhibitor 21Icovamenib (USAN)ICOVAMENIB [USAN](R)-4-((3-acrylamidopiperidin-1-yl)methyl)-N-(4-(4-morpholino-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl)picolinamideN-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamideicovamenib [INN]BMF219orb3027221BMF 219 [WHO-DD]CHEMBL6068392SCHEMBL22216034
Data from PubChem (NCBI)
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Drug Network
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