1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine

C18H19F6N5O — CID 142298480

IUPAC1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(=O)N1CC2CC2C1.Nc1ncc(-c2cnc(CC(F)(F)F)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C11H8F6N4.C7H11NO/c12-10(13,14)2-8-19-4-7(21-8)5-1-6(11(15,16)17)9(18)20-3-5;1-5(9)8-3-6-2-7(6)4-8/h1,3-4H,2H2,(H2,18,20)(H,19,21);6-7H,2-4H2,1H3
InChIKeySAUBUNRKMXRABO-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.66
Rot. Bonds2

About 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine

1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 142298480) has the molecular formula C18H19F6N5O and a molecular weight of 435.37 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID142298480
Molecular FormulaC18H19F6N5O
Molecular Weight435.37 g/mol
Exact Mass435.15
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(=O)N1CC2CC2C1.Nc1ncc(-c2cnc(CC(F)(F)F)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C11H8F6N4.C7H11NO/c12-10(13,14)2-8-19-4-7(21-8)5-1-6(11(15,16)17)9(18)20-3-5;1-5(9)8-3-6-2-7(6)4-8/h1,3-4H,2H2,(H2,18,20)(H,19,21);6-7H,2-4H2,1H3
InChIKeySAUBUNRKMXRABO-UHFFFAOYSA-N
XLogP3.66
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 142298480) is 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(=O)N1CC2CC2C1.Nc1ncc(-c2cnc(CC(F)(F)F)[nH]2)cc1C(F)(F)F.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SAUBUNRKMXRABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N4.C7H11NO/c12-10(13,14)2-8-19-4-7(21-8)5-1-6(11(15,16)17)9(18)20-3-5;1-5(9)8-3-6-2-7(6)4-8/h1,3-4H,2H2,(H2,18,20)(H,19,21);6-7H,2-4H2,1H3.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 435.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 142298480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).