5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C19H18F9N5 — CID 134315904

About 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134315904) has the molecular formula C19H18F9N5 and a molecular weight of 487.37 g/mol. Its IUPAC name is 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 134315904
• Molecular Formula: C19H18F9N5
• Molecular Weight: 487.37 g/mol
• Exact Mass: 487.14
• IUPAC Name: 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: CC12CN(CC(F)(F)F)C[C@H]1[C@@H]2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1CC(F)(F)F
• InChI: InChI=1S/C19H18F9N5/c1-16-7-32(8-18(23,24)25)5-11(16)14(16)33-6-12(31-13(33)3-17(20,21)22)9-2-10(19(26,27)28)15(29)30-4-9/h2,4,6,11,14H,3,5,7-8H2,1H3,(H2,29,30)/t11-,14-,16?/m0/s1
• InChIKey: NJHZUGDLXPIDFX-XPFLZZBLSA-N
• XLogP: 4.71
• TPSA: 59.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.37
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134315904) is 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC12CN(CC(F)(F)F)C[C@H]1[C@@H]2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1CC(F)(F)F.

What is the InChIKey of 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is NJHZUGDLXPIDFX-XPFLZZBLSA-N. The full InChI is InChI=1S/C19H18F9N5/c1-16-7-32(8-18(23,24)25)5-11(16)14(16)33-6-12(31-13(33)3-17(20,21)22)9-2-10(19(26,27)28)15(29)30-4-9/h2,4,6,11,14H,3,5,7-8H2,1H3,(H2,29,30)/t11-,14-,16?/m0/s1.

What are the key properties of 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 487.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134315904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).