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

C23H26F4N2O5 — CID 166158880

IUPAC(2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([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)c1C
InChIInChI=1S/C23H26F4N2O5/c1-11-15(24)7-6-14(19(11)33-4)18-12(2)22(3,23(25,26)27)34-20(18)21(32)29-13-5-8-16(28-9-13)17(31)10-30/h5-9,12,17-18,20,30-31H,10H2,1-4H3,(H,29,32)/t12-,17-,18-,20+,22+/m1/s1
InChIKeyMUKACRVXAPKIKP-VJZTYIJDSA-N
MW486.46 g/mol
LogP3.64
Rot. Bonds6

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

(2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166158880) has the molecular formula C23H26F4N2O5 and a molecular weight of 486.46 g/mol. Its IUPAC name is (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166158880
Molecular FormulaC23H26F4N2O5
Molecular Weight486.46 g/mol
Exact Mass486.18
IUPAC Name(2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([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)c1C
InChIInChI=1S/C23H26F4N2O5/c1-11-15(24)7-6-14(19(11)33-4)18-12(2)22(3,23(25,26)27)34-20(18)21(32)29-13-5-8-16(28-9-13)17(31)10-30/h5-9,12,17-18,20,30-31H,10H2,1-4H3,(H,29,32)/t12-,17-,18-,20+,22+/m1/s1
InChIKeyMUKACRVXAPKIKP-VJZTYIJDSA-N
XLogP3.64
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166158880) is (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([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)c1C.
What is the InChIKey of (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is MUKACRVXAPKIKP-VJZTYIJDSA-N. The full InChI is InChI=1S/C23H26F4N2O5/c1-11-15(24)7-6-14(19(11)33-4)18-12(2)22(3,23(25,26)27)34-20(18)21(32)29-13-5-8-16(28-9-13)17(31)10-30/h5-9,12,17-18,20,30-31H,10H2,1-4H3,(H,29,32)/t12-,17-,18-,20+,22+/m1/s1.
What are the key properties of (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166158880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).