1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C18H12ClN5O — CID 166486738

IUPAC1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#CC1CN(c2ccc(Cl)cn2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H12ClN5O/c19-13-5-6-17(22-9-13)23-11-14(7-20)24(18(23)25)16-10-21-8-12-3-1-2-4-15(12)16/h1-6,8-10,14H,11H2
InChIKeyNBGPENGKRHMXET-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.62
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486738) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486738
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC Name1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#CC1CN(c2ccc(Cl)cn2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H12ClN5O/c19-13-5-6-17(22-9-13)23-11-14(7-20)24(18(23)25)16-10-21-8-12-3-1-2-4-15(12)16/h1-6,8-10,14H,11H2
InChIKeyNBGPENGKRHMXET-UHFFFAOYSA-N
XLogP3.62
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486707
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
(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
(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486455
(4S)-1-(5-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486556

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486738) is 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is N#CC1CN(c2ccc(Cl)cn2)C(=O)N1c1cncc2ccccc12.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is NBGPENGKRHMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-13-5-6-17(22-9-13)23-11-14(7-20)24(18(23)25)16-10-21-8-12-3-1-2-4-15(12)16/h1-6,8-10,14H,11H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 349.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).