(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C18H15FN4O — CID 166486695

IUPAC(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#C[C@H]1CN(C23CC(F)(C2)C3)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H15FN4O/c19-17-9-18(10-17,11-17)22-8-13(5-20)23(16(22)24)15-7-21-6-12-3-1-2-4-14(12)15/h1-4,6-7,13H,8-11H2/t13-,17?,18?/m0/s1
InChIKeyXFDFOCDQBLCRND-TZYSRNFLSA-N
MW322.34 g/mol
LogP3.01
Rot. Bonds2

About (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486695) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486695
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#C[C@H]1CN(C23CC(F)(C2)C3)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H15FN4O/c19-17-9-18(10-17,11-17)22-8-13(5-20)23(16(22)24)15-7-21-6-12-3-1-2-4-14(12)15/h1-4,6-7,13H,8-11H2/t13-,17?,18?/m0/s1
InChIKeyXFDFOCDQBLCRND-TZYSRNFLSA-N
XLogP3.01
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile with MolForge

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Related Compounds

1-[(1R)-3,3-difluorocyclopentyl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 175545767
(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486580
(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486302
3-isoquinolin-4-yl-2-oxo-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carbonitrile
CID 166486309
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
(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
(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
1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486338
(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486683

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486695) is (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is N#C[C@H]1CN(C23CC(F)(C2)C3)C(=O)N1c1cncc2ccccc12.
What is the InChIKey of (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is XFDFOCDQBLCRND-TZYSRNFLSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-17-9-18(10-17,11-17)22-8-13(5-20)23(16(22)24)15-7-21-6-12-3-1-2-4-14(12)15/h1-4,6-7,13H,8-11H2/t13-,17?,18?/m0/s1.
What are the key properties of (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 322.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).