1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

C82H76F14N10O15S — CID 164965861

About 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone

1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (PubChem CID 164965861) has the molecular formula C82H76F14N10O15S and a molecular weight of 1739.60 g/mol. Its IUPAC name is 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
• PubChem CID: 164965861
• Molecular Formula: C82H76F14N10O15S
• Molecular Weight: 1739.60 g/mol
• Exact Mass: 1738.50
• IUPAC Name: 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone
• SMILES: CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CO)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2
• InChI: InChI=1S/2C17H15F2NO3.2C16H15F4N3O3.C16H16F2N2O3S/c2*1-9(22)16-7-14(12-4-2-10(18)6-15(12)19)13-5-3-11(8-21)23-17(13)20-16;2*1-8(24)13-4-12(9-5-21-23(6-9)15(17)18)11-3-2-10(7-25-16(19)20)26-14(11)22-13;1-8(21)13-5-12(14-6-19-9(2)24-14)11-4-3-10(7-22-16(17)18)23-15(11)20-13/h2*2,4,6-7,11,21H,3,5,8H2,1H3;2*4-6,10,15-16H,2-3,7H2,1H3;5-6,10,16H,3-4,7H2,1-2H3/t2*11-;3*10-/m10101/s1
• InChIKey: CLXCUODDTWJCKR-UDXNTYAPSA-N
• XLogP: 16.43
• TPSA: 312.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.60
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

The IUPAC name of 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone (CID 164965861) is 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone.

What is the SMILES notation for 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

The canonical SMILES for 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CO)CC2.CC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.CC(=O)c1cc(-c2cnc(C)s2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@@H](COC(F)F)CC2.CC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)O[C@H](COC(F)F)CC2.

What is the InChIKey of 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

The InChIKey is CLXCUODDTWJCKR-UDXNTYAPSA-N. The full InChI is InChI=1S/2C17H15F2NO3.2C16H15F4N3O3.C16H16F2N2O3S/c2*1-9(22)16-7-14(12-4-2-10(18)6-15(12)19)13-5-3-11(8-21)23-17(13)20-16;2*1-8(24)13-4-12(9-5-21-23(6-9)15(17)18)11-3-2-10(7-25-16(19)20)26-14(11)22-13;1-8(21)13-5-12(14-6-19-9(2)24-14)11-4-3-10(7-22-16(17)18)23-15(11)20-13/h2*2,4,6-7,11,21H,3,5,8H2,1H3;2*4-6,10,15-16H,2-3,7H2,1H3;5-6,10,16H,3-4,7H2,1-2H3/t2*11-;3*10-/m10101/s1.

What are the key properties of 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone?

1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone has a molecular weight of 1739.60 g/mol, XLogP of 16.43, 23 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-[1-(difluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone is sourced from PubChem (CID 164965861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).