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

C23H25F5N2O5 — CID 166158984

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](O)[C@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H25F5N2O5/c1-10-16(13-6-7-14(24)17(25)19(13)34-4)20(35-22(10,3)23(26,27)28)21(33)30-12-5-8-15(29-9-12)18(32)11(2)31/h5-11,16,18,20,31-32H,1-4H3,(H,30,33)/t10-,11-,16-,18+,20+,22+/m0/s1
InChIKeyZTSBXTKKRQFMHI-NYLNCXSWSA-N
MW504.45 g/mol
LogP3.86
Rot. Bonds6

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

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166158984) has the molecular formula C23H25F5N2O5 and a molecular weight of 504.45 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166158984
Molecular FormulaC23H25F5N2O5
Molecular Weight504.45 g/mol
Exact Mass504.17
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](O)[C@H](C)O)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H25F5N2O5/c1-10-16(13-6-7-14(24)17(25)19(13)34-4)20(35-22(10,3)23(26,27)28)21(33)30-12-5-8-15(29-9-12)18(32)11(2)31/h5-11,16,18,20,31-32H,1-4H3,(H,30,33)/t10-,11-,16-,18+,20+,22+/m0/s1
InChIKeyZTSBXTKKRQFMHI-NYLNCXSWSA-N
XLogP3.86
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.45
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166158984) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-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-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](O)[C@H](C)O)nc3)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-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is ZTSBXTKKRQFMHI-NYLNCXSWSA-N. The full InChI is InChI=1S/C23H25F5N2O5/c1-10-16(13-6-7-14(24)17(25)19(13)34-4)20(35-22(10,3)23(26,27)28)21(33)30-12-5-8-15(29-9-12)18(32)11(2)31/h5-11,16,18,20,31-32H,1-4H3,(H,30,33)/t10-,11-,16-,18+,20+,22+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 504.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S,2S)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166158984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).