azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone

C20H24FN3O — CID 91924497

IUPACazepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
SMILESO=C(C1CCc2ncc(-c3ccc(F)cc3)n2C1)N1CCCCCC1
InChIInChI=1S/C20H24FN3O/c21-17-8-5-15(6-9-17)18-13-22-19-10-7-16(14-24(18)19)20(25)23-11-3-1-2-4-12-23/h5-6,8-9,13,16H,1-4,7,10-12,14H2
InChIKeyZCAPEVODSPVSJL-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.65
Rot. Bonds2

About azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone

azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone (PubChem CID 91924497) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
PubChem CID91924497
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Nameazepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone
SMILESO=C(C1CCc2ncc(-c3ccc(F)cc3)n2C1)N1CCCCCC1
InChIInChI=1S/C20H24FN3O/c21-17-8-5-15(6-9-17)18-13-22-19-10-7-16(14-24(18)19)20(25)23-11-3-1-2-4-12-23/h5-6,8-9,13,16H,1-4,7,10-12,14H2
InChIKeyZCAPEVODSPVSJL-UHFFFAOYSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone (CID 91924497) is azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone is O=C(C1CCc2ncc(-c3ccc(F)cc3)n2C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
The InChIKey is ZCAPEVODSPVSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-17-8-5-15(6-9-17)18-13-22-19-10-7-16(14-24(18)19)20(25)23-11-3-1-2-4-12-23/h5-6,8-9,13,16H,1-4,7,10-12,14H2.
What are the key properties of azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone?
azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanone is sourced from PubChem (CID 91924497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).