Rock2-IN-6
(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone
Molecular Identity
Rock2-IN-6
(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone
PubChem CID: 137387245
2D Structure
Properties
C26H21F2N7O
Molecular Formula
485.50
Molecular Weight
g/mol
485.1776
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
91.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
786
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=CC2=C1C=C(C=C2)C3=NC=CC(=N3)NC4=CC=C(C=C4)C5=CNN=C5)C(=O)N6CC(C6)(F)FIsomeric SMILES
SMILES: CN1C(=CC2=C1C=C(C=C2)C3=NC=CC(=N3)NC4=CC=C(C=C4)C5=CNN=C5)C(=O)N6CC(C6)(F)FSynonyms(18)
ROCK2-IN-62260506-59-8(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanonefimosudilA1IVITDI01orb2277641CHEMBL5798095SCHEMBL20617752SCHEMBL29394103GTPL14620GWMOTZHLJFWMIZ-UHFFFAOYSA-NBDBM561121TDI01470DA-77520
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rock2-IN-6
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