1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole

C15H16F3N3O — CID 141138972

IUPAC1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole
SMILESCN1CC2CC1CC2n1ncc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C15H16F3N3O/c1-20-8-10-4-11(20)6-14(10)21-13-3-2-12(22-15(16,17)18)5-9(13)7-19-21/h2-3,5,7,10-11,14H,4,6,8H2,1H3
InChIKeyUHWJSEGQGJSKIM-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.20
Rot. Bonds2

About 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole

1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole (PubChem CID 141138972) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole.

Molecular Properties

Compound Name1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole
PubChem CID141138972
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole
SMILESCN1CC2CC1CC2n1ncc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C15H16F3N3O/c1-20-8-10-4-11(20)6-14(10)21-13-3-2-12(22-15(16,17)18)5-9(13)7-19-21/h2-3,5,7,10-11,14H,4,6,8H2,1H3
InChIKeyUHWJSEGQGJSKIM-UHFFFAOYSA-N
XLogP3.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-5-(trifluoromethoxy)indazole
CID 68536919
2-[(1R,4R,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-1-[5-(trifluoromethoxy)-1H-indazol-3-yl]ethanone
CID 58357355
formic acid;2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1-[5-(trifluoromethoxy)-1H-indazol-3-yl]ethanone
CID 157099026
1-[2-(aziridin-1-yl)ethyl]-5-(trifluoromethoxy)indole
CID 154694278
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
5-(difluoromethoxy)-1-methylindazole
CID 141364933
5-cyclopropyloxy-1-methylindazole
CID 130057460
1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
CID 154694215
[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol
CID 122424160
2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline
CID 142873912
N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145044061
N-[(S)-cyclopropyl-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 171607999

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole?
The IUPAC name of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole (CID 141138972) is 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole.
What is the SMILES notation for 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole?
The canonical SMILES for 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole is CN1CC2CC1CC2n1ncc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole?
The InChIKey is UHWJSEGQGJSKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-20-8-10-4-11(20)6-14(10)21-13-3-2-12(22-15(16,17)18)5-9(13)7-19-21/h2-3,5,7,10-11,14H,4,6,8H2,1H3.
What are the key properties of 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole?
1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole has a molecular weight of 311.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole is sourced from PubChem (CID 141138972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).