4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C25H26F6N4O4 — CID 167221260

About 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 167221260) has the molecular formula C25H26F6N4O4 and a molecular weight of 560.50 g/mol. Its IUPAC name is 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• PubChem CID: 167221260
• Molecular Formula: C25H26F6N4O4
• Molecular Weight: 560.50 g/mol
• Exact Mass: 560.19
• IUPAC Name: 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• SMILES: C[C@H]1[C@@H](c2ccc(F)c(F)c2OCC2(F)CN(C)C2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
• InChI: InChI=1S/C25H26F6N4O4/c1-12-17(14-4-5-15(26)18(27)19(14)38-11-24(28)9-35(3)10-24)20(39-23(12,2)25(29,30)31)22(37)34-13-6-7-33-16(8-13)21(32)36/h4-8,12,17,20H,9-11H2,1-3H3,(H2,32,36)(H,33,34,37)/t12-,17-,20+,23+/m0/s1
• InChIKey: RPHASMYBNFMYSU-ZWQRXXSJSA-N
• XLogP: 3.57
• TPSA: 106.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.50
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 167221260) is 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is C[C@H]1[C@@H](c2ccc(F)c(F)c2OCC2(F)CN(C)C2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F.

What is the InChIKey of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The InChIKey is RPHASMYBNFMYSU-ZWQRXXSJSA-N. The full InChI is InChI=1S/C25H26F6N4O4/c1-12-17(14-4-5-15(26)18(27)19(14)38-11-24(28)9-35(3)10-24)20(39-23(12,2)25(29,30)31)22(37)34-13-6-7-33-16(8-13)21(32)36/h4-8,12,17,20H,9-11H2,1-3H3,(H2,32,36)(H,33,34,37)/t12-,17-,20+,23+/m0/s1.

What are the key properties of 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 560.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(3-fluoro-1-methylazetidin-3-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167221260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).