2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide

C22H25F4N5O2 — CID 90321848

IUPAC2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide
SMILESCCc1ccnc(NC(=O)CN2C(=O)N(c3ncc(C(F)(F)F)cc3F)C[C@@H]2[C@@H](C)CC)c1
InChIInChI=1S/C22H25F4N5O2/c1-4-13(3)17-11-31(20-16(23)9-15(10-28-20)22(24,25)26)21(33)30(17)12-19(32)29-18-8-14(5-2)6-7-27-18/h6-10,13,17H,4-5,11-12H2,1-3H3,(H,27,29,32)/t13-,17+/m0/s1
InChIKeyQBXFVZHPRLMZAX-SUMWQHHRSA-N
MW467.47 g/mol
LogP4.49
Rot. Bonds7

About 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide

2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide (PubChem CID 90321848) has the molecular formula C22H25F4N5O2 and a molecular weight of 467.47 g/mol. Its IUPAC name is 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide
PubChem CID90321848
Molecular FormulaC22H25F4N5O2
Molecular Weight467.47 g/mol
Exact Mass467.19
IUPAC Name2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide
SMILESCCc1ccnc(NC(=O)CN2C(=O)N(c3ncc(C(F)(F)F)cc3F)C[C@@H]2[C@@H](C)CC)c1
InChIInChI=1S/C22H25F4N5O2/c1-4-13(3)17-11-31(20-16(23)9-15(10-28-20)22(24,25)26)21(33)30(17)12-19(32)29-18-8-14(5-2)6-7-27-18/h6-10,13,17H,4-5,11-12H2,1-3H3,(H,27,29,32)/t13-,17+/m0/s1
InChIKeyQBXFVZHPRLMZAX-SUMWQHHRSA-N
XLogP4.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide (CID 90321848) is 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide is CCc1ccnc(NC(=O)CN2C(=O)N(c3ncc(C(F)(F)F)cc3F)C[C@@H]2[C@@H](C)CC)c1.
What is the InChIKey of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide?
The InChIKey is QBXFVZHPRLMZAX-SUMWQHHRSA-N. The full InChI is InChI=1S/C22H25F4N5O2/c1-4-13(3)17-11-31(20-16(23)9-15(10-28-20)22(24,25)26)21(33)30(17)12-19(32)29-18-8-14(5-2)6-7-27-18/h6-10,13,17H,4-5,11-12H2,1-3H3,(H,27,29,32)/t13-,17+/m0/s1.
What are the key properties of 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide?
2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide has a molecular weight of 467.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-[(2S)-butan-2-yl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-(4-ethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 90321848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).