(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C18H17N5O2 — CID 166486580

IUPAC(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCC(=O)N1CC(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)C1
InChIInChI=1S/C18H17N5O2/c1-12(24)21-9-15(10-21)22-11-14(6-19)23(18(22)25)17-8-20-7-13-4-2-3-5-16(13)17/h2-5,7-8,14-15H,9-11H2,1H3/t14-/m0/s1
InChIKeySUHFUMVXLZZGTL-AWEZNQCLSA-N
MW335.37 g/mol
LogP1.60
Rot. Bonds2

About (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486580) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486580
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCC(=O)N1CC(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)C1
InChIInChI=1S/C18H17N5O2/c1-12(24)21-9-15(10-21)22-11-14(6-19)23(18(22)25)17-8-20-7-13-4-2-3-5-16(13)17/h2-5,7-8,14-15H,9-11H2,1H3/t14-/m0/s1
InChIKeySUHFUMVXLZZGTL-AWEZNQCLSA-N
XLogP1.60
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486677
(4S)-3-isoquinolin-4-yl-2-oxo-1-(3-propan-2-ylcyclobutyl)imidazolidine-4-carbonitrile
CID 166486501
3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile
CID 166486520
1-[(1R)-3,3-difluorocyclopentyl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 175545767
(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486695
(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-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486738
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
(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486690
(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486302

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486580) is (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is CC(=O)N1CC(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)C1.
What is the InChIKey of (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is SUHFUMVXLZZGTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(24)21-9-15(10-21)22-11-14(6-19)23(18(22)25)17-8-20-7-13-4-2-3-5-16(13)17/h2-5,7-8,14-15H,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 335.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).