2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile

C22H18F2N4 — CID 122650593

IUPAC2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1F
InChIInChI=1S/C22H18F2N4/c23-18-3-1-2-17-20-12-26-13-28(20)22(21(17)18)14-6-8-27(9-7-14)16-5-4-15(11-25)19(24)10-16/h1-5,10,12-14,22H,6-9H2
InChIKeyQDLRGHZATRUFJU-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.52
Rot. Bonds2

About 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile

2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile (PubChem CID 122650593) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
PubChem CID122650593
Molecular FormulaC22H18F2N4
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1F
InChIInChI=1S/C22H18F2N4/c23-18-3-1-2-17-20-12-26-13-28(20)22(21(17)18)14-6-8-27(9-7-14)16-5-4-15(11-25)19(24)10-16/h1-5,10,12-14,22H,6-9H2
InChIKeyQDLRGHZATRUFJU-UHFFFAOYSA-N
XLogP4.52
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
CID 145172553
2-[4-[4-[4-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanamine
CID 134462576
2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol
CID 122650490
6-fluoro-5-[1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650516
6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650477
(2S)-3-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]propane-1,2-diol
CID 122650517
6-fluoro-5-[1-[4-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650493
tert-butyl N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]carbamate
CID 122650594
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;tris(N-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]acetamide);6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 158385617
6-fluoro-5-[1-(3-fluorocyclohexa-1,3-dien-1-yl)piperidin-3-yl]-5H-imidazo[5,1-a]isoindole
CID 163446592
methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate
CID 134291911
ethane;5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
CID 145172538

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile (CID 122650593) is 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile is N#Cc1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile?
The InChIKey is QDLRGHZATRUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4/c23-18-3-1-2-17-20-12-26-13-28(20)22(21(17)18)14-6-8-27(9-7-14)16-5-4-15(11-25)19(24)10-16/h1-5,10,12-14,22H,6-9H2.
What are the key properties of 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile?
2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile has a molecular weight of 376.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 122650593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).