2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone

C20H18FN5O — CID 56860714

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1)N1CC2CCC1C2
InChIInChI=1S/C20H18FN5O/c21-17-4-2-14(3-5-17)15-8-16(10-19(9-15)26-12-22-23-24-26)20(27)25-11-13-1-6-18(25)7-13/h2-5,8-10,12-13,18H,1,6-7,11H2
InChIKeyUFYGEQHKNHWCGV-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.09
Rot. Bonds3

About 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone (PubChem CID 56860714) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone
PubChem CID56860714
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1)N1CC2CCC1C2
InChIInChI=1S/C20H18FN5O/c21-17-4-2-14(3-5-17)15-8-16(10-19(9-15)26-12-22-23-24-26)20(27)25-11-13-1-6-18(25)7-13/h2-5,8-10,12-13,18H,1,6-7,11H2
InChIKeyUFYGEQHKNHWCGV-UHFFFAOYSA-N
XLogP3.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone 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

[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(4-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 26348072
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(2-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 42482154
2-azabicyclo[2.2.1]heptan-2-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107025937
[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 98067004
3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-fluorobenzenesulfonamide
CID 65389245
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
1-(4-fluorophenyl)tetrazole
CID 825628
1-[(1S,5R)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(tetrazol-1-yl)ethanone
CID 72883513
2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone
CID 61073633
(2R)-1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 100662526
2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone
CID 62248377
2-azabicyclo[2.2.2]octan-2-yl-(3-fluoro-4-sulfanylphenyl)methanone
CID 164882525

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone (CID 56860714) is 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone is O=C(c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is UFYGEQHKNHWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-17-4-2-14(3-5-17)15-8-16(10-19(9-15)26-12-22-23-24-26)20(27)25-11-13-1-6-18(25)7-13/h2-5,8-10,12-13,18H,1,6-7,11H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 363.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[3-(4-fluorophenyl)-5-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 56860714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).