6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide

C41H59F4N3O4Si2 — CID 66652566

About 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 66652566) has the molecular formula C41H59F4N3O4Si2 and a molecular weight of 790.10 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 66652566
• Molecular Formula: C41H59F4N3O4Si2
• Molecular Weight: 790.10 g/mol
• Exact Mass: 789.40
• IUPAC Name: 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide
• SMILES: CC(C)[Si](O[C@@H]1[C@@H](CF)O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C41H59F4N3O4Si2/c1-23(2)53(24(3)4,25(5)6)51-36-20-35(50-37(21-42)40(36)52-54(26(7)8,27(9)10)28(11)12)29-18-19-46-22-34(29)48-41(49)33-17-16-32(45)39(47-33)38-30(43)14-13-15-31(38)44/h13-19,22-28,35-37,40H,20-21H2,1-12H3,(H,48,49)/t35-,36-,37-,40+/m1/s1
• InChIKey: PHHWWADOIMOFBB-OWEYCTMXSA-N
• XLogP: 11.73
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.10
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 66652566) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is CC(C)[Si](O[C@@H]1[C@@H](CF)O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

The InChIKey is PHHWWADOIMOFBB-OWEYCTMXSA-N. The full InChI is InChI=1S/C41H59F4N3O4Si2/c1-23(2)53(24(3)4,25(5)6)51-36-20-35(50-37(21-42)40(36)52-54(26(7)8,27(9)10)28(11)12)29-18-19-46-22-34(29)48-41(49)33-17-16-32(45)39(47-33)38-30(43)14-13-15-31(38)44/h13-19,22-28,35-37,40H,20-21H2,1-12H3,(H,48,49)/t35-,36-,37-,40+/m1/s1.

What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 790.10 g/mol, XLogP of 11.73, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R,5R,6S)-6-(fluoromethyl)-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 66652566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).