(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile

C19H15N5O2 — CID 166486331

IUPAC(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
SMILESCn1ccc(N2C[C@@H](C#N)N(c3cncc4ccccc34)C2=O)cc1=O
InChIInChI=1S/C19H15N5O2/c1-22-7-6-14(8-18(22)25)23-12-15(9-20)24(19(23)26)17-11-21-10-13-4-2-3-5-16(13)17/h2-8,10-11,15H,12H2,1H3/t15-/m1/s1
InChIKeyAEOUAYUREWPOFY-OAHLLOKOSA-N
MW345.36 g/mol
LogP2.27
Rot. Bonds2

About (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile

(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486331) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486331
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
SMILESCn1ccc(N2C[C@@H](C#N)N(c3cncc4ccccc34)C2=O)cc1=O
InChIInChI=1S/C19H15N5O2/c1-22-7-6-14(8-18(22)25)23-12-15(9-20)24(19(23)26)17-11-21-10-13-4-2-3-5-16(13)17/h2-8,10-11,15H,12H2,1H3/t15-/m1/s1
InChIKeyAEOUAYUREWPOFY-OAHLLOKOSA-N
XLogP2.27
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(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
(4R)-3-isoquinolin-4-yl-2-oxo-1-(6-propan-2-yl-3-pyridinyl)imidazolidine-4-carbonitrile
CID 166486543
(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486690
(4S)-3-isoquinolin-4-yl-2-oxo-1-[6-(trifluoromethyl)pyridazin-4-yl]imidazolidine-4-carbonitrile
CID 166486463
(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486683
(4S)-1-(5-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486556
1-(5-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486336
1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486474
1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486738
3-isoquinolin-4-yl-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-oxoimidazolidine-4-carbonitrile
CID 166486711

Frequently Asked Questions

What is the IUPAC name of (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile (CID 166486331) is (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile is Cn1ccc(N2C[C@@H](C#N)N(c3cncc4ccccc34)C2=O)cc1=O.
What is the InChIKey of (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is AEOUAYUREWPOFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-22-7-6-14(8-18(22)25)23-12-15(9-20)24(19(23)26)17-11-21-10-13-4-2-3-5-16(13)17/h2-8,10-11,15H,12H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).