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

C24H28F4N2O5 — CID 166158927

IUPAC(2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCCOc1c([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/C24H28F4N2O5/c1-5-34-20-12(2)16(25)8-7-15(20)19-13(3)23(4,24(26,27)28)35-21(19)22(33)30-14-6-9-17(29-10-14)18(32)11-31/h6-10,13,18-19,21,31-32H,5,11H2,1-4H3,(H,30,33)/t13-,18-,19-,21+,23+/m0/s1
InChIKeyQMJMTYGTWYOZOL-KARNVGCQSA-N
MW500.49 g/mol
LogP4.03
Rot. Bonds7

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

(2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166158927) has the molecular formula C24H28F4N2O5 and a molecular weight of 500.49 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166158927
Molecular FormulaC24H28F4N2O5
Molecular Weight500.49 g/mol
Exact Mass500.19
IUPAC Name(2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCCOc1c([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/C24H28F4N2O5/c1-5-34-20-12(2)16(25)8-7-15(20)19-13(3)23(4,24(26,27)28)35-21(19)22(33)30-14-6-9-17(29-10-14)18(32)11-31/h6-10,13,18-19,21,31-32H,5,11H2,1-4H3,(H,30,33)/t13-,18-,19-,21+,23+/m0/s1
InChIKeyQMJMTYGTWYOZOL-KARNVGCQSA-N
XLogP4.03
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-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 (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166158927) is (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is CCOc1c([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 (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is QMJMTYGTWYOZOL-KARNVGCQSA-N. The full InChI is InChI=1S/C24H28F4N2O5/c1-5-34-20-12(2)16(25)8-7-15(20)19-13(3)23(4,24(26,27)28)35-21(19)22(33)30-14-6-9-17(29-10-14)18(32)11-31/h6-10,13,18-19,21,31-32H,5,11H2,1-4H3,(H,30,33)/t13-,18-,19-,21+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 500.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-ethoxy-4-fluoro-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166158927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).