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

C86H83F10N11O12 — CID 165043078

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

1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (PubChem CID 165043078) has the molecular formula C86H83F10N11O12 and a molecular weight of 1652.65 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
• PubChem CID: 165043078
• Molecular Formula: C86H83F10N11O12
• Molecular Weight: 1652.65 g/mol
• Exact Mass: 1651.61
• IUPAC Name: 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-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](COC(F)F)[C@@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@H](C)C2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1
• InChI: InChI=1S/2C19H17F4NO3.C16H15F2N3O2.2C16H17N3O2/c2*1-9-5-14-13(12-4-3-11(20)6-15(12)21)7-16(10(2)25)24-18(14)27-17(9)8-26-19(22)23;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;2*1-9(20)14-6-12(10-7-17-19(2)8-10)13-5-11-3-4-15(21-11)16(13)18-14/h2*3-4,6-7,9,17,19H,5,8H2,1-2H3;5-7,10,14,16H,2-4H2,1H3;2*6-8,11,15H,3-5H2,1-2H3/t9-,17+;9-,17-;10-,14+;2*11-,15+/m10010/s1
• InChIKey: OLMAFQRAICNFEB-XNSXOHMGSA-N
• XLogP: 17.06
• TPSA: 267.87 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.65
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone (CID 165043078) is 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-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-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone?

The canonical SMILES for 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-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](COC(F)F)[C@@H](C)C2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](COC(F)F)[C@H](C)C2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@@H]1CC[C@H](C2)O1.CC(=O)c1cc(-c2cnn(C)c2)c2c(n1)[C@H]1CC[C@@H](C2)O1.

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

The InChIKey is OLMAFQRAICNFEB-XNSXOHMGSA-N. The full InChI is InChI=1S/2C19H17F4NO3.C16H15F2N3O2.2C16H17N3O2/c2*1-9-5-14-13(12-4-3-11(20)6-15(12)21)7-16(10(2)25)24-18(14)27-17(9)8-26-19(22)23;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;2*1-9(20)14-6-12(10-7-17-19(2)8-10)13-5-11-3-4-15(21-11)16(13)18-14/h2*3-4,6-7,9,17,19H,5,8H2,1-2H3;5-7,10,14,16H,2-4H2,1H3;2*6-8,11,15H,3-5H2,1-2H3/t9-,17+;9-,17-;10-,14+;2*11-,15+/m10010/s1.

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

1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone has a molecular weight of 1652.65 g/mol, XLogP of 17.06, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-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-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone is sourced from PubChem (CID 165043078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).