(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C54H48F14N8O7 — CID 158832290

About (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 158832290) has the molecular formula C54H48F14N8O7 and a molecular weight of 1187.00 g/mol. Its IUPAC name is (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
• PubChem CID: 158832290
• Molecular Formula: C54H48F14N8O7
• Molecular Weight: 1187.00 g/mol
• Exact Mass: 1186.34
• IUPAC Name: (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
• SMILES: C[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1COC(F)F.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CNCC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2
• InChI: InChI=1S/2C18H16F5N3O2.C18H16F4N2O3/c2*19-9-1-3-11(14(20)5-9)13-6-15(16(24)27)26-17-12(13)4-2-10(28-17)7-25-8-18(21,22)23;1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(16(23)25)24-17(12)27-15(8)7-26-18(21)22/h2*1,3,5-6,10,25H,2,4,7-8H2,(H2,24,27);2-3,5-6,8,15,18H,4,7H2,1H3,(H2,23,25)/t2*10-;8-,15+/m100/s1
• InChIKey: IXESGUHWAJBUQY-SGLNEFIBSA-N
• XLogP: 9.25
• TPSA: 228.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.00
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

The IUPAC name of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 158832290) is (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

What is the SMILES notation for (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

The canonical SMILES for (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is C[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1COC(F)F.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CNCC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.

What is the InChIKey of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

The InChIKey is IXESGUHWAJBUQY-SGLNEFIBSA-N. The full InChI is InChI=1S/2C18H16F5N3O2.C18H16F4N2O3/c2*19-9-1-3-11(14(20)5-9)13-6-15(16(24)27)26-17-12(13)4-2-10(28-17)7-25-8-18(21,22)23;1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(16(23)25)24-17(12)27-15(8)7-26-18(21)22/h2*1,3,5-6,10,25H,2,4,7-8H2,(H2,24,27);2-3,5-6,8,15,18H,4,7H2,1H3,(H2,23,25)/t2*10-;8-,15+/m100/s1.

What are the key properties of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 1187.00 g/mol, XLogP of 9.25, 15 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 158832290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).