5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C69H84F9N15O5 — CID 158694217

About 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 158694217) has the molecular formula C69H84F9N15O5 and a molecular weight of 1374.51 g/mol. Its IUPAC name is 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 158694217
• Molecular Formula: C69H84F9N15O5
• Molecular Weight: 1374.51 g/mol
• Exact Mass: 1373.66
• IUPAC Name: 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(COC4)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12
• InChI: InChI=1S/2C23H28F3N5O2.C23H28F3N5O/c1-12(2)31-18(6-17(29-31)13-3-19(21(27)28-7-13)33-23(24,25)26)20-15-4-14(5-16(15)20)30-8-22(9-30)10-32-11-22;1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15;1-11(2)31-20(7-19(29-31)12-3-18(23(24,25)26)22(27)28-8-12)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,6-7,12,14-16,20H,4-5,8-11H2,1-2H3,(H2,27,28);3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28);3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t14?,15-,16+,20?;2*13?,14-,15-,16-,17+,21?/m.11/s1
• InChIKey: IGSRPAFJNGCNRY-HIGMQXDXSA-N
• XLogP: 11.90
• TPSA: 226.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.51
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 158694217) is 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(COC4)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3C[C@H]4C[C@@H]3CO4)C[C@@H]12.

What is the InChIKey of 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is IGSRPAFJNGCNRY-HIGMQXDXSA-N. The full InChI is InChI=1S/2C23H28F3N5O2.C23H28F3N5O/c1-12(2)31-18(6-17(29-31)13-3-19(21(27)28-7-13)33-23(24,25)26)20-15-4-14(5-16(15)20)30-8-22(9-30)10-32-11-22;1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15;1-11(2)31-20(7-19(29-31)12-3-18(23(24,25)26)22(27)28-8-12)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,6-7,12,14-16,20H,4-5,8-11H2,1-2H3,(H2,27,28);3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28);3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t14?,15-,16+,20?;2*13?,14-,15-,16-,17+,21?/m.11/s1.

What are the key properties of 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 1374.51 g/mol, XLogP of 11.90, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1S,5R)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 158694217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).