(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine

C22H35F3N4O — CID 144866370

About (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine

(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 144866370) has the molecular formula C22H35F3N4O and a molecular weight of 428.54 g/mol. Its IUPAC name is (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 144866370
• Molecular Formula: C22H35F3N4O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.28
• IUPAC Name: (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: C1CC2C[C@H]2C1.CC.CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)(F)F)c2)n1
• InChI: InChI=1S/C12H13F3N4O.C6H10.2C2H6/c1-7(2)19-4-3-9(18-19)8-5-10(11(16)17-6-8)20-12(13,14)15;1-2-5-4-6(5)3-1;2*1-2/h3-7H,1-2H3,(H2,16,17);5-6H,1-4H2;2*1-2H3/t;5-,6?;;/m.1../s1
• InChIKey: DJYIHPFWHNPMFM-RKRJYHNFSA-N
• XLogP: 6.87
• TPSA: 65.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine (CID 144866370) is (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine is C1CC2C[C@H]2C1.CC.CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)(F)F)c2)n1.

What is the InChIKey of (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is DJYIHPFWHNPMFM-RKRJYHNFSA-N. The full InChI is InChI=1S/C12H13F3N4O.C6H10.2C2H6/c1-7(2)19-4-3-9(18-19)8-5-10(11(16)17-6-8)20-12(13,14)15;1-2-5-4-6(5)3-1;2*1-2/h3-7H,1-2H3,(H2,16,17);5-6H,1-4H2;2*1-2H3/t;5-,6?;;/m.1../s1.

What are the key properties of (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine?

(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 428.54 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 144866370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).