[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
Molecular Identity
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
PubChem CID: 45111332
2D Structure
Properties
C18H17N7
Molecular Formula
331.40
Molecular Weight
g/mol
331.1545
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
477
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)CC#NIsomeric SMILES
SMILES: C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)CC#NSynonyms(11)
CHEMBL1235645[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrileREBASC24ASC-24SCHEMBL1164728SCHEMBL12045456GLXC-10431BDBM50613306Q274650072-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)amino)phenyl)acetonitrile
Data from PubChem (NCBI)
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Molecular Structure
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
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Drug Network
Trials and conditions connected to [4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
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