3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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

C65H78F9N15O5 — CID 157144828

About 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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

3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 157144828) has the molecular formula C65H78F9N15O5 and a molecular weight of 1320.42 g/mol. Its IUPAC name is 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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: 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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: 157144828
• Molecular Formula: C65H78F9N15O5
• Molecular Weight: 1320.42 g/mol
• Exact Mass: 1319.62
• IUPAC Name: 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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(N3CCOC3=O)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)c2)cc1C1[C@H]2CC(N3CC(F)C3)C[C@@H]12
• InChI: InChI=1S/C23H28F3N5O2.C21H24F3N5O2.C21H26F3N5O/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;1-10(2)29-17(18-13-6-12(7-14(13)18)28-3-4-31-20(28)30)8-16(27-29)11-5-15(21(22,23)24)19(25)26-9-11;1-10(2)29-17(19-14-4-13(5-15(14)19)28-8-12(22)9-28)6-16(27-29)11-3-18(30-21(23)24)20(25)26-7-11/h3,6-7,12,14-16,20H,4-5,8-11H2,1-2H3,(H2,27,28);5,8-10,12-14,18H,3-4,6-7H2,1-2H3,(H2,25,26);3,6-7,10,12-15,19,21H,4-5,8-9H2,1-2H3,(H2,25,26)/t14?,15-,16+,20?;12?,13-,14+,18?;13?,14-,15+,19?
• InChIKey: AKOXHHWZIVPANX-DHNPERFPSA-N
• XLogP: 11.76
• TPSA: 233.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.42
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 157144828) is 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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(N3CCOC3=O)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)c2)cc1C1[C@H]2CC(N3CC(F)C3)C[C@@H]12.

What is the InChIKey of 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 AKOXHHWZIVPANX-DHNPERFPSA-N. The full InChI is InChI=1S/C23H28F3N5O2.C21H24F3N5O2.C21H26F3N5O/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;1-10(2)29-17(18-13-6-12(7-14(13)18)28-3-4-31-20(28)30)8-16(27-29)11-5-15(21(22,23)24)19(25)26-9-11;1-10(2)29-17(19-14-4-13(5-15(14)19)28-8-12(22)9-28)6-16(27-29)11-3-18(30-21(23)24)20(25)26-7-11/h3,6-7,12,14-16,20H,4-5,8-11H2,1-2H3,(H2,27,28);5,8-10,12-14,18H,3-4,6-7H2,1-2H3,(H2,25,26);3,6-7,10,12-15,19,21H,4-5,8-9H2,1-2H3,(H2,25,26)/t14?,15-,16+,20?;12?,13-,14+,18?;13?,14-,15+,19?.

What are the key properties of 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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?

3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 1320.42 g/mol, XLogP of 11.76, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S,5R)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-1,3-oxazolidin-2-one;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-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 157144828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).