Conteltinib
2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
Molecular Identity
Conteltinib
2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID: 89860551
2D Structure
Properties
C32H45N9O3S
Molecular Formula
635.80
Molecular Weight
g/mol
635.3366
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
135
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
12
H-Bond Acceptors
1030
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCN(CC6)C)OCIsomeric SMILES
SMILES: CC(C)NS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCN(CC6)C)OCSynonyms(20)
conteltinib1384860-29-0URX2UMQ8XV2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamideBenzenesulfonamide, 2-((6,7-dihydro-2-((2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-N-(1-methylethyl)-conteltinibum2-((2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)anilino)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-N-propan-2-ylbenzenesulfonamideBenzenesulfonamide, 2-[[6,7-dihydro-2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(1-methylethyl)-RefChem:127812Conteltinib [INN]UNII-URX2UMQ8XVCT-707US9428508, 96N-Isopropyl-2-[[2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidyl]phenyl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamideN-Isopropyl-2-((2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzenesulfonamide
Data from PubChem (NCBI)
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