(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C23H23FN2O — CID 52948998

IUPAC(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)N2CCC1CC2
InChIInChI=1S/C23H23FN2O/c24-19-5-3-4-16(12-19)14-26-15-18(20-6-1-2-7-21(20)26)13-22-23(27)17-8-10-25(22)11-9-17/h1-7,12-13,15,17,23,27H,8-11,14H2/b22-13-
InChIKeyLPXUPIFUOZFOIK-XKZIYDEJSA-N
MW362.45 g/mol
LogP4.26
Rot. Bonds3

About (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol

(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 52948998) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID52948998
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)N2CCC1CC2
InChIInChI=1S/C23H23FN2O/c24-19-5-3-4-16(12-19)14-26-15-18(20-6-1-2-7-21(20)26)13-22-23(27)17-8-10-25(22)11-9-17/h1-7,12-13,15,17,23,27H,8-11,14H2/b22-13-
InChIKeyLPXUPIFUOZFOIK-XKZIYDEJSA-N
XLogP4.26
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol 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

Cinchonidine
CID 101744
Cinchonine
CID 90454
Alpha-quinidine
CID 2757
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
Flutroline
CID 51174
(9R)-Cinchonan-9-ol
CID 5702153
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 443155
2-(4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)piperidin-1-yl)ethanol
CID 44565093
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
CID 6918951
CID 6918951
(2Z)-2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 10088884

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 52948998) is (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is OC1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)N2CCC1CC2.
What is the InChIKey of (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is LPXUPIFUOZFOIK-XKZIYDEJSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-19-5-3-4-16(12-19)14-26-15-18(20-6-1-2-7-21(20)26)13-22-23(27)17-8-10-25(22)11-9-17/h1-7,12-13,15,17,23,27H,8-11,14H2/b22-13-.
What are the key properties of (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 362.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 52948998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).