(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile

C21H19N5O — CID 166486543

IUPAC(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile
SMILESCC(C)c1ccc(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)cn1
InChIInChI=1S/C21H19N5O/c1-14(2)19-8-7-16(11-24-19)25-13-17(9-22)26(21(25)27)20-12-23-10-15-5-3-4-6-18(15)20/h3-8,10-12,14,17H,13H2,1-2H3/t17-/m0/s1
InChIKeyZWTQPHPYMBTKQQ-KRWDZBQOSA-N
MW357.42 g/mol
LogP4.09
Rot. Bonds3

About (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile

(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile (PubChem CID 166486543) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile
PubChem CID166486543
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile
SMILESCC(C)c1ccc(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)cn1
InChIInChI=1S/C21H19N5O/c1-14(2)19-8-7-16(11-24-19)25-13-17(9-22)26(21(25)27)20-12-23-10-15-5-3-4-6-18(15)20/h3-8,10-12,14,17H,13H2,1-2H3/t17-/m0/s1
InChIKeyZWTQPHPYMBTKQQ-KRWDZBQOSA-N
XLogP4.09
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile with MolForge

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Related Compounds

3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486707
(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486331
(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486455
1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486338
1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486738
(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486302
(4R)-1-[5-(difluoromethyl)-2-pyridinyl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486537
1-[5-(difluoromethyl)-2-pyridinyl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486446
(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486683
3-isoquinolin-4-yl-2-oxo-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carbonitrile
CID 166486309
(4S)-3-isoquinolin-4-yl-2-oxo-1-(3-propan-2-ylcyclobutyl)imidazolidine-4-carbonitrile
CID 166486501
(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486690

Frequently Asked Questions

What is the IUPAC name of (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile?
The IUPAC name of (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile (CID 166486543) is (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile is CC(C)c1ccc(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)cn1.
What is the InChIKey of (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile?
The InChIKey is ZWTQPHPYMBTKQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(2)19-8-7-16(11-24-19)25-13-17(9-22)26(21(25)27)20-12-23-10-15-5-3-4-6-18(15)20/h3-8,10-12,14,17H,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile?
(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile has a molecular weight of 357.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile is sourced from PubChem (CID 166486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).