5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C73H93F9N16O5 — CID 158358624

About 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 158358624) has the molecular formula C73H93F9N16O5 and a molecular weight of 1445.64 g/mol. Its IUPAC name is 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 158358624
• Molecular Formula: C73H93F9N16O5
• Molecular Weight: 1445.64 g/mol
• Exact Mass: 1444.74
• IUPAC Name: 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12
• InChI: InChI=1S/C25H33F3N6O2.C24H30F3N5O2.C24H30F3N5O/c1-14(2)34-20(9-19(31-34)15-6-21(23(29)30-10-15)36-25(26,27)28)22-17-7-16(8-18(17)22)33-12-24(13-33)11-32(3)4-5-35-24;1-13(2)32-19(9-18(30-32)14-6-20(22(28)29-10-14)34-24(25,26)27)21-16-7-15(8-17(16)21)31-11-23(12-31)4-3-5-33-23;1-13(2)32-20(9-19(30-32)14-6-18(24(25,26)27)22(28)29-10-14)21-16-7-15(8-17(16)21)31-11-23(12-31)4-3-5-33-23/h6,9-10,14,16-18,22H,4-5,7-8,11-13H2,1-3H3,(H2,29,30);6,9-10,13,15-17,21H,3-5,7-8,11-12H2,1-2H3,(H2,28,29);6,9-10,13,15-17,21H,3-5,7-8,11-12H2,1-2H3,(H2,28,29)/t16?,17-,18+,22?;2*15?,16-,17+,21?
• InChIKey: GTEORLOSNJCUIB-OQCAZXOQSA-N
• XLogP: 12.36
• TPSA: 229.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1445.64
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 158358624) is 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12.

What is the InChIKey of 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is GTEORLOSNJCUIB-OQCAZXOQSA-N. The full InChI is InChI=1S/C25H33F3N6O2.C24H30F3N5O2.C24H30F3N5O/c1-14(2)34-20(9-19(31-34)15-6-21(23(29)30-10-15)36-25(26,27)28)22-17-7-16(8-18(17)22)33-12-24(13-33)11-32(3)4-5-35-24;1-13(2)32-19(9-18(30-32)14-6-20(22(28)29-10-14)34-24(25,26)27)21-16-7-15(8-17(16)21)31-11-23(12-31)4-3-5-33-23;1-13(2)32-20(9-19(30-32)14-6-18(24(25,26)27)22(28)29-10-14)21-16-7-15(8-17(16)21)31-11-23(12-31)4-3-5-33-23/h6,9-10,14,16-18,22H,4-5,7-8,11-13H2,1-3H3,(H2,29,30);6,9-10,13,15-17,21H,3-5,7-8,11-12H2,1-2H3,(H2,28,29);6,9-10,13,15-17,21H,3-5,7-8,11-12H2,1-2H3,(H2,28,29)/t16?,17-,18+,22?;2*15?,16-,17+,21?.

What are the key properties of 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1445.64 g/mol, XLogP of 12.36, 14 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158358624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).