(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H28F5N3O5 — CID 166160190

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOC[C@H](O)Cn1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)c(C)n1
InChIInChI=1S/C23H28F5N3O5/c1-11-17(14-6-7-15(24)18(25)19(14)35-5)20(36-22(11,3)23(26,27)28)21(33)29-16-9-31(30-12(16)2)8-13(32)10-34-4/h6-7,9,11,13,17,20,32H,8,10H2,1-5H3,(H,29,33)/t11-,13+,17-,20+,22+/m0/s1
InChIKeyYVNXEILHWZKQLN-ZHPKVPOWSA-N
MW521.48 g/mol
LogP3.56
Rot. Bonds8

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160190) has the molecular formula C23H28F5N3O5 and a molecular weight of 521.48 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160190
Molecular FormulaC23H28F5N3O5
Molecular Weight521.48 g/mol
Exact Mass521.19
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOC[C@H](O)Cn1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)c(C)n1
InChIInChI=1S/C23H28F5N3O5/c1-11-17(14-6-7-15(24)18(25)19(14)35-5)20(36-22(11,3)23(26,27)28)21(33)29-16-9-31(30-12(16)2)8-13(32)10-34-4/h6-7,9,11,13,17,20,32H,8,10H2,1-5H3,(H,29,33)/t11-,13+,17-,20+,22+/m0/s1
InChIKeyYVNXEILHWZKQLN-ZHPKVPOWSA-N
XLogP3.56
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-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-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160190) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-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-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COC[C@H](O)Cn1cc(NC(=O)[C@@H]2O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]2c2ccc(F)c(F)c2OC)c(C)n1.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is YVNXEILHWZKQLN-ZHPKVPOWSA-N. The full InChI is InChI=1S/C23H28F5N3O5/c1-11-17(14-6-7-15(24)18(25)19(14)35-5)20(36-22(11,3)23(26,27)28)21(33)29-16-9-31(30-12(16)2)8-13(32)10-34-4/h6-7,9,11,13,17,20,32H,8,10H2,1-5H3,(H,29,33)/t11-,13+,17-,20+,22+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 521.48 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).