(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H23F7N4O4 — CID 166160738

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCNC(=O)COc1c([C@H]2[C@H](C(=O)Nc3cn(C(F)F)nc3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H23F7N4O4/c1-9-15(11-5-6-12(23)16(24)17(11)36-8-14(34)30-4)18(37-21(9,3)22(27,28)29)19(35)31-13-7-33(20(25)26)32-10(13)2/h5-7,9,15,18,20H,8H2,1-4H3,(H,30,34)(H,31,35)/t9-,15-,18+,21+/m0/s1
InChIKeyYEUDUESACWYNLV-UJVVSLLCSA-N
MW540.44 g/mol
LogP4.07
Rot. Bonds7

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160738) has the molecular formula C22H23F7N4O4 and a molecular weight of 540.44 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-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-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160738
Molecular FormulaC22H23F7N4O4
Molecular Weight540.44 g/mol
Exact Mass540.16
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCNC(=O)COc1c([C@H]2[C@H](C(=O)Nc3cn(C(F)F)nc3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H23F7N4O4/c1-9-15(11-5-6-12(23)16(24)17(11)36-8-14(34)30-4)18(37-21(9,3)22(27,28)29)19(35)31-13-7-33(20(25)26)32-10(13)2/h5-7,9,15,18,20H,8H2,1-4H3,(H,30,34)(H,31,35)/t9-,15-,18+,21+/m0/s1
InChIKeyYEUDUESACWYNLV-UJVVSLLCSA-N
XLogP4.07
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-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-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-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-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160738) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-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-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-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-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is CNC(=O)COc1c([C@H]2[C@H](C(=O)Nc3cn(C(F)F)nc3C)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is YEUDUESACWYNLV-UJVVSLLCSA-N. The full InChI is InChI=1S/C22H23F7N4O4/c1-9-15(11-5-6-12(23)16(24)17(11)36-8-14(34)30-4)18(37-21(9,3)22(27,28)29)19(35)31-13-7-33(20(25)26)32-10(13)2/h5-7,9,15,18,20H,8H2,1-4H3,(H,30,34)(H,31,35)/t9-,15-,18+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 540.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).