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

C18H12FN5O — CID 166486302

IUPAC(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#C[C@H]1CN(c2ccc(F)cn2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H12FN5O/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/t14-/m0/s1
InChIKeyOVUATWOUKJZAQS-AWEZNQCLSA-N
MW333.33 g/mol
LogP3.11
Rot. Bonds2

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

(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486302) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486302
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESN#C[C@H]1CN(c2ccc(F)cn2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H12FN5O/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/t14-/m0/s1
InChIKeyOVUATWOUKJZAQS-AWEZNQCLSA-N
XLogP3.11
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486738
(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
3-isoquinolin-4-yl-2-oxo-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carbonitrile
CID 166486309
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
3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486707
(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
3-isoquinolin-4-yl-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-oxoimidazolidine-4-carbonitrile
CID 166486711
(4S)-3-isoquinolin-4-yl-2-oxo-1-[6-(trifluoromethyl)pyridazin-4-yl]imidazolidine-4-carbonitrile
CID 166486463

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486302) is (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is N#C[C@H]1CN(c2ccc(F)cn2)C(=O)N1c1cncc2ccccc12.
What is the InChIKey of (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is OVUATWOUKJZAQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H12FN5O/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/t14-/m0/s1.
What are the key properties of (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 333.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).