(2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H24F6N2O4 — CID 166158994

About (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166158994) has the molecular formula C23H24F6N2O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• PubChem CID: 166158994
• Molecular Formula: C23H24F6N2O4
• Molecular Weight: 506.44 g/mol
• Exact Mass: 506.16
• IUPAC Name: (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• SMILES: COc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C(F)F
• InChI: InChI=1S/C23H24F6N2O4/c1-10-16(13-6-7-14(24)17(20(25)26)18(13)34-4)19(35-22(10,3)23(27,28)29)21(33)31-12-5-8-15(11(2)32)30-9-12/h5-11,16,19-20,32H,1-4H3,(H,31,33)/t10-,11-,16-,19+,22+/m0/s1
• InChIKey: FAJANQOMCKMJRJ-BCAQFQSPSA-N
• XLogP: 5.30
• TPSA: 80.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.44
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The IUPAC name of (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166158994) is (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

What is the SMILES notation for (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The canonical SMILES for (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C(F)F.

What is the InChIKey of (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The InChIKey is FAJANQOMCKMJRJ-BCAQFQSPSA-N. The full InChI is InChI=1S/C23H24F6N2O4/c1-10-16(13-6-7-14(24)17(20(25)26)18(13)34-4)19(35-22(10,3)23(27,28)29)21(33)31-12-5-8-15(11(2)32)30-9-12/h5-11,16,19-20,32H,1-4H3,(H,31,33)/t10-,11-,16-,19+,22+/m0/s1.

What are the key properties of (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

(2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166158994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).