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

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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).