(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H24F6N2O4 — CID 167211542

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167211542) has the molecular formula C23H24F6N2O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• PubChem CID: 167211542
• Molecular Formula: C23H24F6N2O4
• Molecular Weight: 506.44 g/mol
• Exact Mass: 506.16
• IUPAC Name: (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• SMILES: COc1c([C@H]2[C@H](C(=O)Nc3ccnc(C(C)(O)CF)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
• InChI: InChI=1S/C23H24F6N2O4/c1-11-16(13-5-6-14(25)17(26)18(13)34-4)19(35-22(11,3)23(27,28)29)20(32)31-12-7-8-30-15(9-12)21(2,33)10-24/h5-9,11,16,19,33H,10H2,1-4H3,(H,30,31,32)/t11-,16-,19+,21?,22+/m0/s1
• InChIKey: ZUHQMSFIQLPULB-BXHJPSDOSA-N
• XLogP: 4.62
• TPSA: 80.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.44
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 167211542) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

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

The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccnc(C(C)(O)CF)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.

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

The InChIKey is ZUHQMSFIQLPULB-BXHJPSDOSA-N. The full InChI is InChI=1S/C23H24F6N2O4/c1-11-16(13-5-6-14(25)17(26)18(13)34-4)19(35-22(11,3)23(27,28)29)20(32)31-12-7-8-30-15(9-12)21(2,33)10-24/h5-9,11,16,19,33H,10H2,1-4H3,(H,30,31,32)/t11-,16-,19+,21?,22+/m0/s1.

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

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 4.62, 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-(3,4-difluoro-2-methoxyphenyl)-N-[2-(1-fluoro-2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167211542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).