Molecules/(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile
(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile
5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyridine-3-carbonitrile
Molecular Identity
(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile
5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID: 11567474
2D Structure
Properties
C20H20F2N6O
Molecular Formula
398.40
Molecular Weight
g/mol
398.1667
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
98.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
564
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=NNC(=C1)NC2=C(C=C(C(=N2)NC(C)C3=CC=C(C=C3)F)C#N)FIsomeric SMILES
SMILES: C[C@@H](C1=CC=C(C=C1)F)NC2=NC(=C(C=C2C#N)F)NC3=CC(=NN3)OC(C)CSynonyms(15)
AZD-6918905585-60-6CHEMBL1774054(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrileorb1741077SCHEMBL2486709SCHEMBL29412447AZD6918QRAQXWWNHQMCBH-LBPRGKRZSA-NBDBM50343724EX-A13856(S)-5-Fluoro-2-[[1-(4-fluorophenyl)ethyl]amino]-6-[(5-isopropoxy-1H-pyrazol-3-yl)amino]nicotinonitrileHY-164461T684035-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyridine-3-carbonitrile
Data from PubChem (NCBI)
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Molecular Structure
(S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile
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Drug Network
Trials and conditions connected to (S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile
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