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

C21H24F3N5O — CID 134280868

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

5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134280868) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 134280868
• Molecular Formula: C21H24F3N5O
• Molecular Weight: 419.45 g/mol
• Exact Mass: 419.19
• IUPAC Name: 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: Nc1ncc(-c2cn(CC3CC3)c(C3[C@H]4CN(C5COC5)C[C@@H]34)n2)cc1C(F)(F)F
• InChI: InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(4-26-19(16)25)17-8-29(5-11-1-2-11)20(27-17)18-14-6-28(7-15(14)18)13-9-30-10-13/h3-4,8,11,13-15,18H,1-2,5-7,9-10H2,(H2,25,26)/t14-,15+,18?
• InChIKey: DSJYFRXSTCOIPS-MVVMVCHASA-N
• XLogP: 3.00
• TPSA: 69.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.45
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134280868) is 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

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

The canonical SMILES for 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cn(CC3CC3)c(C3[C@H]4CN(C5COC5)C[C@@H]34)n2)cc1C(F)(F)F.

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

The InChIKey is DSJYFRXSTCOIPS-MVVMVCHASA-N. The full InChI is InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(4-26-19(16)25)17-8-29(5-11-1-2-11)20(27-17)18-14-6-28(7-15(14)18)13-9-30-10-13/h3-4,8,11,13-15,18H,1-2,5-7,9-10H2,(H2,25,26)/t14-,15+,18?.

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

5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 419.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134280868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).