1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

C87H70F15N5O10 — CID 164958817

About 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (PubChem CID 164958817) has the molecular formula C87H70F15N5O10 and a molecular weight of 1630.51 g/mol. Its IUPAC name is 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
• PubChem CID: 164958817
• Molecular Formula: C87H70F15N5O10
• Molecular Weight: 1630.51 g/mol
• Exact Mass: 1629.49
• IUPAC Name: 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
• SMILES: CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)COCC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1
• InChI: InChI=1S/C18H14F5NO2.2C18H15F2NO2.C17H13F4NO2.C16H13F2NO2/c1-9(25)16-7-14(12-4-2-10(19)6-15(12)20)13-5-3-11(8-18(21,22)23)26-17(13)24-16;2*1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;1-8(23)14-7-12(10-3-2-9(18)6-13(10)19)11-4-5-15(16(20)21)24-17(11)22-14;1-9(20)15-7-13(11-3-2-10(17)6-14(11)18)12-4-5-21-8-16(12)19-15/h2,4,6-7,11H,3,5,8H2,1H3;2*2,4,6,8,11,17H,3,5,7H2,1H3;2-3,6-7,15-16H,4-5H2,1H3;2-3,6-7H,4-5,8H2,1H3/t11-;2*11-,17+;15-;/m0100./s1
• InChIKey: BNSMTSFPSADYNV-ALBGCAPGSA-N
• XLogP: 20.38
• TPSA: 195.95 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1630.51
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

The IUPAC name of 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (CID 164958817) is 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.

What is the SMILES notation for 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

The canonical SMILES for 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)COCC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CC(F)(F)F)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1.

What is the InChIKey of 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

The InChIKey is BNSMTSFPSADYNV-ALBGCAPGSA-N. The full InChI is InChI=1S/C18H14F5NO2.2C18H15F2NO2.C17H13F4NO2.C16H13F2NO2/c1-9(25)16-7-14(12-4-2-10(19)6-15(12)20)13-5-3-11(8-18(21,22)23)26-17(13)24-16;2*1-9(22)16-8-13(12-4-2-10(19)6-15(12)20)14-7-11-3-5-17(23-11)18(14)21-16;1-8(23)14-7-12(10-3-2-9(18)6-13(10)19)11-4-5-15(16(20)21)24-17(11)22-14;1-9(20)15-7-13(11-3-2-10(17)6-14(11)18)12-4-5-21-8-16(12)19-15/h2,4,6-7,11H,3,5,8H2,1H3;2*2,4,6,8,11,17H,3,5,7H2,1H3;2-3,6-7,15-16H,4-5H2,1H3;2-3,6-7H,4-5,8H2,1H3/t11-;2*11-,17+;15-;/m0100./s1.

What are the key properties of 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone has a molecular weight of 1630.51 g/mol, XLogP of 20.38, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[4-(2,4-difluorophenyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl]ethanone;1-[(1R,9S)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(2,4-difluorophenyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is sourced from PubChem (CID 164958817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).