3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

C14H12FN3 — CID 72724763

IUPAC3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2CCCc3cncn32)c(F)c1
InChIInChI=1S/C14H12FN3/c15-13-6-10(7-16)4-5-12(13)14-3-1-2-11-8-17-9-18(11)14/h4-6,8-9,14H,1-3H2/t14-/m1/s1
InChIKeySENWRDHZQKBEPY-CQSZACIVSA-N
MW241.27 g/mol
LogP2.82
Rot. Bonds1

About 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 72724763) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID72724763
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2CCCc3cncn32)c(F)c1
InChIInChI=1S/C14H12FN3/c15-13-6-10(7-16)4-5-12(13)14-3-1-2-11-8-17-9-18(11)14/h4-6,8-9,14H,1-3H2/t14-/m1/s1
InChIKeySENWRDHZQKBEPY-CQSZACIVSA-N
XLogP2.82
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fadrozole
CID 59693
Osilodrostat
CID 44139752
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CID 59694
4-(Imidazol-1-ylmethyl)benzonitrile
CID 1236449
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-[(5r)-5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-5-Yl]benzonitrile
CID 9815923
4-(1-Imidazol-1-yl-vinyl)-benzonitrile
CID 11819989
SB-216995
CID 5171
Osilodrostat Phosphate
CID 71009737
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
5-[(Imidazol-1-yl)methyl]-7,8-dihydroquinoline
CID 10774864

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile (CID 72724763) is 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile is N#Cc1ccc([C@H]2CCCc3cncn32)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is SENWRDHZQKBEPY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12FN3/c15-13-6-10(7-16)4-5-12(13)14-3-1-2-11-8-17-9-18(11)14/h4-6,8-9,14H,1-3H2/t14-/m1/s1.
What are the key properties of 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile?
3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 72724763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).