(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C21H15N5O — CID 166486690

IUPAC(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCc1ccc(C#N)c(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)c1
InChIInChI=1S/C21H15N5O/c1-14-6-7-15(9-22)19(8-14)25-13-17(10-23)26(21(25)27)20-12-24-11-16-4-2-3-5-18(16)20/h2-8,11-12,17H,13H2,1H3/t17-/m0/s1
InChIKeyPZPYGODATAVJPW-KRWDZBQOSA-N
MW353.39 g/mol
LogP3.75
Rot. Bonds2

About (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486690) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486690
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCc1ccc(C#N)c(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)c1
InChIInChI=1S/C21H15N5O/c1-14-6-7-15(9-22)19(8-14)25-13-17(10-23)26(21(25)27)20-12-24-11-16-4-2-3-5-18(16)20/h2-8,11-12,17H,13H2,1H3/t17-/m0/s1
InChIKeyPZPYGODATAVJPW-KRWDZBQOSA-N
XLogP3.75
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-N'-5-isoquinolinylurea
CID 9975006
1-Isoquinolin-5-yl-3-{[4-(pyrrolidin-1-yl)phenyl]methyl}urea
CID 10247042
3-{[4-(Dimethylamino)phenyl]methyl}-1-isoquinolin-5-ylurea
CID 10426159
1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
CID 9819027
1-[2-(4-Tert-butylphenyl)ethyl]-3-isoquinolin-5-ylurea
CID 11739513
3-[3-Methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 118077868
1-Isoquinolin-5-yl-3-(1-phenylpropyl)urea
CID 24768203
2-Methyl-2-[4-(3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 73977439
4-(3-Methyl-2-oxo-8-pyridin-4-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
CID 73977450
(3R,5S)-1-benzyl-8-cyano-3,5-dimethyl-N-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134146440
2-Fluoro-5-[3-(4-methyl-pyridin-3-yl)-2-oxo-imidazolidin-1-yl]-benzonitrile
CID 49872350
1-(4-Cyclopropylpyridin-3-yl)-3-(naphthalen-2-yl)imidazolidin-2-one
CID 66576483

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486690) is (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is Cc1ccc(C#N)c(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)c1.
What is the InChIKey of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is PZPYGODATAVJPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H15N5O/c1-14-6-7-15(9-22)19(8-14)25-13-17(10-23)26(21(25)27)20-12-24-11-16-4-2-3-5-18(16)20/h2-8,11-12,17H,13H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 353.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).