(2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

C20H23F4N3O3 — CID 166161139

IUPAC(2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCCc1c(F)ccc([C@H]2C[C@@](C)(C(F)(F)F)O[C@@H]2C(=O)Nc2cn[nH]c2C)c1OC
InChIInChI=1S/C20H23F4N3O3/c1-5-11-14(21)7-6-12(16(11)29-4)13-8-19(3,20(22,23)24)30-17(13)18(28)26-15-9-25-27-10(15)2/h6-7,9,13,17H,5,8H2,1-4H3,(H,25,27)(H,26,28)/t13-,17+,19+/m1/s1
InChIKeyHPVGNVLCYZJBSK-FMEYXAORSA-N
MW429.41 g/mol
LogP4.26
Rot. Bonds5

About (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

(2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166161139) has the molecular formula C20H23F4N3O3 and a molecular weight of 429.41 g/mol. Its IUPAC name is (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166161139
Molecular FormulaC20H23F4N3O3
Molecular Weight429.41 g/mol
Exact Mass429.17
IUPAC Name(2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCCc1c(F)ccc([C@H]2C[C@@](C)(C(F)(F)F)O[C@@H]2C(=O)Nc2cn[nH]c2C)c1OC
InChIInChI=1S/C20H23F4N3O3/c1-5-11-14(21)7-6-12(16(11)29-4)13-8-19(3,20(22,23)24)30-17(13)18(28)26-15-9-25-27-10(15)2/h6-7,9,13,17H,5,8H2,1-4H3,(H,25,27)(H,26,28)/t13-,17+,19+/m1/s1
InChIKeyHPVGNVLCYZJBSK-FMEYXAORSA-N
XLogP4.26
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166161139) is (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is CCc1c(F)ccc([C@H]2C[C@@](C)(C(F)(F)F)O[C@@H]2C(=O)Nc2cn[nH]c2C)c1OC.
What is the InChIKey of (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is HPVGNVLCYZJBSK-FMEYXAORSA-N. The full InChI is InChI=1S/C20H23F4N3O3/c1-5-11-14(21)7-6-12(16(11)29-4)13-8-19(3,20(22,23)24)30-17(13)18(28)26-15-9-25-27-10(15)2/h6-7,9,13,17H,5,8H2,1-4H3,(H,25,27)(H,26,28)/t13-,17+,19+/m1/s1.
What are the key properties of (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
(2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-3-(3-ethyl-4-fluoro-2-methoxyphenyl)-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166161139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).