1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone

C92H84F19N11O10 — CID 165094950

About 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone

1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (PubChem CID 165094950) has the molecular formula C92H84F19N11O10 and a molecular weight of 1864.71 g/mol. Its IUPAC name is 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
• PubChem CID: 165094950
• Molecular Formula: C92H84F19N11O10
• Molecular Weight: 1864.71 g/mol
• Exact Mass: 1863.61
• IUPAC Name: 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
• SMILES: CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ncc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1
• InChI: InChI=1S/2C20H19F5N2O2.C19H17F5N2O2.C17H14F2N2O2.C16H15F2N3O2/c2*1-11(28)18-8-16(14-5-3-12(21)7-17(14)22)15-6-4-13(29-19(15)26-18)9-27(2)10-20(23,24)25;1-10(27)17-7-15(13-4-2-11(20)6-16(13)21)14-5-3-12(28-18(14)26-17)8-25-9-19(22,23)24;1-8(22)14-6-12(16-13(19)4-9(18)7-20-16)11-5-10-2-3-15(23-10)17(11)21-14;1-8(22)13-5-11(9-6-19-21(7-9)16(17)18)12-4-10-2-3-14(23-10)15(12)20-13/h2*3,5,7-8,13H,4,6,9-10H2,1-2H3;2,4,6-7,12,25H,3,5,8-9H2,1H3;4,6-7,10,15H,2-3,5H2,1H3;5-7,10,14,16H,2-4H2,1H3/t2*13-;12-;10-,15+;10-,14+/m10001/s1
• InChIKey: XIJLTBKLFQVQSK-BPPCPALASA-N
• XLogP: 19.63
• TPSA: 245.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.71
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?

The IUPAC name of 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (CID 165094950) is 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone.

What is the SMILES notation for 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?

The canonical SMILES for 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CN(C)CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ncc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1.

What is the InChIKey of 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?

The InChIKey is XIJLTBKLFQVQSK-BPPCPALASA-N. The full InChI is InChI=1S/2C20H19F5N2O2.C19H17F5N2O2.C17H14F2N2O2.C16H15F2N3O2/c2*1-11(28)18-8-16(14-5-3-12(21)7-17(14)22)15-6-4-13(29-19(15)26-18)9-27(2)10-20(23,24)25;1-10(27)17-7-15(13-4-2-11(20)6-16(13)21)14-5-3-12(28-18(14)26-17)8-25-9-19(22,23)24;1-8(22)14-6-12(16-13(19)4-9(18)7-20-16)11-5-10-2-3-15(23-10)17(11)21-14;1-8(22)13-5-11(9-6-19-21(7-9)16(17)18)12-4-10-2-3-14(23-10)15(12)20-13/h2*3,5,7-8,13H,4,6,9-10H2,1-2H3;2,4,6-7,12,25H,3,5,8-9H2,1H3;4,6-7,10,15H,2-3,5H2,1H3;5-7,10,14,16H,2-4H2,1H3/t2*13-;12-;10-,15+;10-,14+/m10001/s1.

What are the key properties of 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?

1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone has a molecular weight of 1864.71 g/mol, XLogP of 19.63, 20 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,9R)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-(3,5-difluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is sourced from PubChem (CID 165094950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).