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

C23H25F5N2O4 — CID 166159012

IUPAC(2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc(CO)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C(C)F
InChIInChI=1S/C23H25F5N2O4/c1-11-17(15-7-8-16(25)18(12(2)24)19(15)33-4)20(34-22(11,3)23(26,27)28)21(32)30-13-5-6-14(10-31)29-9-13/h5-9,11-12,17,20,31H,10H2,1-4H3,(H,30,32)/t11-,12?,17-,20+,22+/m0/s1
InChIKeyVYJLFGPEQRDVHB-SPXOPPMNSA-N
MW488.45 g/mol
LogP4.83
Rot. Bonds6

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

(2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166159012) has the molecular formula C23H25F5N2O4 and a molecular weight of 488.45 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166159012
Molecular FormulaC23H25F5N2O4
Molecular Weight488.45 g/mol
Exact Mass488.17
IUPAC Name(2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc(CO)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C(C)F
InChIInChI=1S/C23H25F5N2O4/c1-11-17(15-7-8-16(25)18(12(2)24)19(15)33-4)20(34-22(11,3)23(26,27)28)21(32)30-13-5-6-14(10-31)29-9-13/h5-9,11-12,17,20,31H,10H2,1-4H3,(H,30,32)/t11-,12?,17-,20+,22+/m0/s1
InChIKeyVYJLFGPEQRDVHB-SPXOPPMNSA-N
XLogP4.83
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-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-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166159012) is (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc(CO)nc3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1C(C)F.
What is the InChIKey of (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is VYJLFGPEQRDVHB-SPXOPPMNSA-N. The full InChI is InChI=1S/C23H25F5N2O4/c1-11-17(15-7-8-16(25)18(12(2)24)19(15)33-4)20(34-22(11,3)23(26,27)28)21(32)30-13-5-6-14(10-31)29-9-13/h5-9,11-12,17,20,31H,10H2,1-4H3,(H,30,32)/t11-,12?,17-,20+,22+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 488.45 g/mol, XLogP of 4.83, 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-[4-fluoro-3-(1-fluoroethyl)-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166159012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).