Itacnosertib
2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
Molecular Identity
Itacnosertib
2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
PubChem CID: 86290265
2D Structure
Properties
C26H28N8O
Molecular Formula
468.60
Molecular Weight
g/mol
468.2386
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
91.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ItacnosertibItacnosertib [INN]22Z53X5LHFUNII-22Z53X5LHFTP-01842-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-ylpyridin-3-yl)pyrimidine-2,4-diamineITACNOSERTIB [WHO-DD]N2-(3-Methoxy-4-(4-methylpiperazin-1-yl)phenyl)-N4-(2-(pyridin-2-yl)pyridin-3-yl)pyrimidine-2,4-diamineTP01842,4-Pyrimidinediamine, N4-(2,2'-bipyridin)-3-yl-N2-(3-methoxy-4-(4-methyl-1-piperazinyl)phenyl)-example 11 [WO2014151871A9]example 11 (WO2014151871A9)2-N-(3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)-4-N-(2-pyridin-2-ylpyridin-3-yl)pyrimidine-2,4-diamineRefChem:150196ALK2 Inhibitor TP-0184
Data from PubChem (NCBI)
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