5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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

C65H79F10N15O5 — CID 159114891

About 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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 (PubChem CID 159114891) has the molecular formula C65H79F10N15O5 and a molecular weight of 1340.43 g/mol. Its IUPAC name is 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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.

Molecular Properties

• Compound Name: 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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
• PubChem CID: 159114891
• Molecular Formula: C65H79F10N15O5
• Molecular Weight: 1340.43 g/mol
• Exact Mass: 1339.62
• IUPAC Name: 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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
• SMILES: 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.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@H]1[C@@H]2C[C@H]3CN(C)C[C@H]3[C@@H]21.Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(CC(F)F)n2)cc1OC(F)(F)F
• InChI: InChI=1S/C23H28F3N5O2.C21H24F5N5O2.C21H27F2N5O/c1-11(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;22-18(23)10-31-16(19-13-6-12(7-14(13)19)30-1-3-32-4-2-30)8-15(29-31)11-5-17(20(27)28-9-11)33-21(24,25)26;1-10(2)28-16(19-13-4-12-8-27(3)9-14(12)18(13)19)6-15(26-28)11-5-17(29-21(22)23)20(24)25-7-11/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28);5,8-9,12-14,18-19H,1-4,6-7,10H2,(H2,27,28);5-7,10,12-14,18-19,21H,4,8-9H2,1-3H3,(H2,24,25)/t13?,14-,15-,16-,17+,21?;12?,13-,14+,19?;12-,13+,14+,18+,19+/m0.0/s1
• InChIKey: KEYQCJMGZKPTJH-ZFFDLKRKSA-N
• XLogP: 11.11
• TPSA: 226.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.43
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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?

The IUPAC name of 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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 (CID 159114891) is 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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.

What is the SMILES notation for 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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?

The canonical SMILES for 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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 is 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.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@H]1[C@@H]2C[C@H]3CN(C)C[C@H]3[C@@H]21.Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(CC(F)F)n2)cc1OC(F)(F)F.

What is the InChIKey of 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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?

The InChIKey is KEYQCJMGZKPTJH-ZFFDLKRKSA-N. The full InChI is InChI=1S/C23H28F3N5O2.C21H24F5N5O2.C21H27F2N5O/c1-11(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;22-18(23)10-31-16(19-13-6-12(7-14(13)19)30-1-3-32-4-2-30)8-15(29-31)11-5-17(20(27)28-9-11)33-21(24,25)26;1-10(2)28-16(19-13-4-12-8-27(3)9-14(12)18(13)19)6-15(26-28)11-5-17(29-21(22)23)20(24)25-7-11/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28);5,8-9,12-14,18-19H,1-4,6-7,10H2,(H2,27,28);5-7,10,12-14,18-19,21H,4,8-9H2,1-3H3,(H2,24,25)/t13?,14-,15-,16-,17+,21?;12?,13-,14+,19?;12-,13+,14+,18+,19+/m0.0/s1.

What are the key properties of 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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 has a molecular weight of 1340.43 g/mol, XLogP of 11.11, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,2-difluoroethyl)-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,2R,3S,4R,6R)-8-methyl-8-azatricyclo[4.3.0.02,4]nonan-3-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(1S,4S)-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 is sourced from PubChem (CID 159114891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).