1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C20H12FN5O — CID 166486338

IUPAC1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#Cc1ccc(N2CC(C#N)N(c3cncc4ccccc34)C2=O)cc1F
InChIInChI=1S/C20H12FN5O/c21-18-7-15(6-5-13(18)8-22)25-12-16(9-23)26(20(25)27)19-11-24-10-14-3-1-2-4-17(14)19/h1-7,10-11,16H,12H2
InChIKeySYVWOVJCMKDGBP-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.58
Rot. Bonds2

About 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486338) has the molecular formula C20H12FN5O and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486338
Molecular FormulaC20H12FN5O
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#Cc1ccc(N2CC(C#N)N(c3cncc4ccccc34)C2=O)cc1F
InChIInChI=1S/C20H12FN5O/c21-18-7-15(6-5-13(18)8-22)25-12-16(9-23)26(20(25)27)19-11-24-10-14-3-1-2-4-17(14)19/h1-7,10-11,16H,12H2
InChIKeySYVWOVJCMKDGBP-UHFFFAOYSA-N
XLogP3.58
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547
1-Isoquinolin-5-yl-3-{[4-(pyrrolidin-1-yl)phenyl]methyl}urea
CID 10247042
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(pyridin-3-yl)piperazine-1-carboxamide
CID 11539442
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(5-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11539737
3-[3-Methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 118077868
4-(1-Benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-2-(trifluoromethyl)benzonitrile
CID 70680990
4-[2-Oxo-3-(pyridin-2-ylmethyl)benzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 70680991
4-[2-Oxo-3-(pyridin-3-ylmethyl)benzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 70691513
4-(3-Benzyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 70693605
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
2-Fluoro-5-[3-(4-methyl-pyridin-3-yl)-2-oxo-imidazolidin-1-yl]-benzonitrile
CID 49872350

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486338) is 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is N#Cc1ccc(N2CC(C#N)N(c3cncc4ccccc34)C2=O)cc1F.
What is the InChIKey of 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is SYVWOVJCMKDGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O/c21-18-7-15(6-5-13(18)8-22)25-12-16(9-23)26(20(25)27)19-11-24-10-14-3-1-2-4-17(14)19/h1-7,10-11,16H,12H2.
What are the key properties of 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 357.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).