(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H19FN4O2 — CID 138055780

IUPAC(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]cnc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c1-10-14(21-9-20-10)8-19-17(24)13-7-15(23)22(2)16(13)11-3-5-12(18)6-4-11/h3-6,9,13,16H,7-8H2,1-2H3,(H,19,24)(H,20,21)/t13-,16+/m0/s1
InChIKeyMCAIAFHPQFZXNE-XJKSGUPXSA-N
MW330.36 g/mol
LogP1.69
Rot. Bonds4

About (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 138055780) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID138055780
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]cnc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c1-10-14(21-9-20-10)8-19-17(24)13-7-15(23)22(2)16(13)11-3-5-12(18)6-4-11/h3-6,9,13,16H,7-8H2,1-2H3,(H,19,24)(H,20,21)/t13-,16+/m0/s1
InChIKeyMCAIAFHPQFZXNE-XJKSGUPXSA-N
XLogP1.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-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,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 138055780) is (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1[nH]cnc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MCAIAFHPQFZXNE-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-10-14(21-9-20-10)8-19-17(24)13-7-15(23)22(2)16(13)11-3-5-12(18)6-4-11/h3-6,9,13,16H,7-8H2,1-2H3,(H,19,24)(H,20,21)/t13-,16+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138055780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).