Molecules/2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Molecular Identity
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID: 3740458
2D Structure
Properties
C21H19N5O5
Molecular Formula
421.40
Molecular Weight
g/mol
421.1386
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
149
TPSA
May have limited oral absorption
1
H-Bond Donors
8
H-Bond Acceptors
869
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=C(C=N4)[N+](=O)[O-]Isomeric SMILES
SMILES: COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=C(C=N4)[N+](=O)[O-]Synonyms(20)
304867-97-82-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile2-Amino-4-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrileOprea1_870444MLS000587523CHEMBL1865186HMS2604J14STK957275AKOS003982316RS-01392-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrileSMR000211553ST006825CS-0323704
Data from PubChem (NCBI)
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Molecular Structure
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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Drug Network
Trials and conditions connected to 2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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