1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one

C25H24FN3O — CID 58415585

IUPAC1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
SMILESO=C(CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21)N1C2CCC1CC2
InChIInChI=1S/C25H24FN3O/c26-18-7-5-17(6-8-18)25(14-13-23(30)29-19-9-10-20(29)12-11-19)22-4-2-1-3-21(22)24-27-15-16-28(24)25/h1-8,15-16,19-20H,9-14H2
InChIKeyJEWADERMLNBNIO-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.73
Rot. Bonds4

About 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one

1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one (PubChem CID 58415585) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
PubChem CID58415585
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
SMILESO=C(CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21)N1C2CCC1CC2
InChIInChI=1S/C25H24FN3O/c26-18-7-5-17(6-8-18)25(14-13-23(30)29-19-9-10-20(29)12-11-19)22-4-2-1-3-21(22)24-27-15-16-28(24)25/h1-8,15-16,19-20H,9-14H2
InChIKeyJEWADERMLNBNIO-UHFFFAOYSA-N
XLogP4.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide
CID 56659486
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide
CID 56662946
5-(4-chlorophenyl)-5-(3-{4-[1-(3,3-difluoropyrrolidin-1-yl)ethyl]piperidin-1-yl}-3-oxopropyl)-5H-imidazo[2,1-a]isoindole
CID 56666419
5-Benzyl-5-(4-fluorophenyl)imidazo[2,1-a]isoindole
CID 56676659
3-[5-(4-Chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 56676661
3-[5-(4-Chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 56676662
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide
CID 56683317
1-(8-Azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 56683318
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propan-1-one
CID 56662945
1-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-3-(4-fluoro-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005765
[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone
CID 155567542
N-benzyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)-N-methylacetamide
CID 141501919

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one (CID 58415585) is 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one is O=C(CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21)N1C2CCC1CC2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The InChIKey is JEWADERMLNBNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c26-18-7-5-17(6-8-18)25(14-13-23(30)29-19-9-10-20(29)12-11-19)22-4-2-1-3-21(22)24-27-15-16-28(24)25/h1-8,15-16,19-20H,9-14H2.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one has a molecular weight of 401.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one is sourced from PubChem (CID 58415585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).