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

C22H23F5N2O4 — CID 166583841

IUPAC(2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1c([C@@H]2[C@@H](C(=O)Nc3ccc([C@@H](O)CO)nc3)O[C@](C)(C(F)(F)F)[C@@H]2C)ccc(F)c1F
InChIInChI=1S/C22H23F5N2O4/c1-10-13(5-6-14(23)18(10)24)17-11(2)21(3,22(25,26)27)33-19(17)20(32)29-12-4-7-15(28-8-12)16(31)9-30/h4-8,11,16-17,19,30-31H,9H2,1-3H3,(H,29,32)/t11-,16+,17-,19+,21+/m1/s1
InChIKeyWXOXTDNHPXDBOR-KMMXOXLZSA-N
MW474.43 g/mol
LogP3.77
Rot. Bonds5

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

(2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166583841) has the molecular formula C22H23F5N2O4 and a molecular weight of 474.43 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166583841
Molecular FormulaC22H23F5N2O4
Molecular Weight474.43 g/mol
Exact Mass474.16
IUPAC Name(2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1c([C@@H]2[C@@H](C(=O)Nc3ccc([C@@H](O)CO)nc3)O[C@](C)(C(F)(F)F)[C@@H]2C)ccc(F)c1F
InChIInChI=1S/C22H23F5N2O4/c1-10-13(5-6-14(23)18(10)24)17-11(2)21(3,22(25,26)27)33-19(17)20(32)29-12-4-7-15(28-8-12)16(31)9-30/h4-8,11,16-17,19,30-31H,9H2,1-3H3,(H,29,32)/t11-,16+,17-,19+,21+/m1/s1
InChIKeyWXOXTDNHPXDBOR-KMMXOXLZSA-N
XLogP3.77
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1-hydroxy-2-methoxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167299107
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160022
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]pyrimidin-5-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166583806
(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211819
(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 170395688
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-5-fluoro-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160181
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1-(dimethylamino)-2-methoxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160197
(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
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212379
5-[[(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166161174
(2R,3S,4S,5R)-N-(6-bromo-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211949
(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 166159109

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166583841) is (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1c([C@@H]2[C@@H](C(=O)Nc3ccc([C@@H](O)CO)nc3)O[C@](C)(C(F)(F)F)[C@@H]2C)ccc(F)c1F.
What is the InChIKey of (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is WXOXTDNHPXDBOR-KMMXOXLZSA-N. The full InChI is InChI=1S/C22H23F5N2O4/c1-10-13(5-6-14(23)18(10)24)17-11(2)21(3,22(25,26)27)33-19(17)20(32)29-12-4-7-15(28-8-12)16(31)9-30/h4-8,11,16-17,19,30-31H,9H2,1-3H3,(H,29,32)/t11-,16+,17-,19+,21+/m1/s1.
What are the key properties of (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 474.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166583841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).