10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

C24H24FN3O — CID 70263150

IUPAC10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1c2cccc3c2c(cn3-c2ccc(F)cc2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C24H24FN3O/c25-18-4-6-19(7-5-18)28-14-17-10-13-27(22-15-26-11-8-16(22)9-12-26)24(29)20-2-1-3-21(28)23(17)20/h1-7,14,16,22H,8-13,15H2
InChIKeyFZIGLARGPWIDGA-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.86
Rot. Bonds2

About 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (PubChem CID 70263150) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
PubChem CID70263150
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
SMILESO=C1c2cccc3c2c(cn3-c2ccc(F)cc2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C24H24FN3O/c25-18-4-6-19(7-5-18)28-14-17-10-13-27(22-15-26-11-8-16(22)9-12-26)24(29)20-2-1-3-21(28)23(17)20/h1-7,14,16,22H,8-13,15H2
InChIKeyFZIGLARGPWIDGA-UHFFFAOYSA-N
XLogP3.86
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The IUPAC name of 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (CID 70263150) is 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is O=C1c2cccc3c2c(cn3-c2ccc(F)cc2)CCN1C1CN2CCC1CC2.
What is the InChIKey of 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
The InChIKey is FZIGLARGPWIDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-18-4-6-19(7-5-18)28-14-17-10-13-27(22-15-26-11-8-16(22)9-12-26)24(29)20-2-1-3-21(28)23(17)20/h1-7,14,16,22H,8-13,15H2.
What are the key properties of 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?
10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one has a molecular weight of 389.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-fluorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 70263150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).