2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide

C27H22FN5O3 — CID 18433547

IUPAC2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide
SMILESN#Cc1ccc(Cn2cncc2CC(=O)NC2CCN(c3cccc4ccc(O)cc34)C2=O)cc1F
InChIInChI=1S/C27H22FN5O3/c28-23-10-17(4-5-19(23)13-29)15-32-16-30-14-20(32)11-26(35)31-24-8-9-33(27(24)36)25-3-1-2-18-6-7-21(34)12-22(18)25/h1-7,10,12,14,16,24,34H,8-9,11,15H2,(H,31,35)
InChIKeyLCFCFGVJUPRICE-UHFFFAOYSA-N
MW483.50 g/mol
LogP3.27
Rot. Bonds6

About 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide

2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 18433547) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID18433547
Molecular FormulaC27H22FN5O3
Molecular Weight483.50 g/mol
Exact Mass483.17
IUPAC Name2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide
SMILESN#Cc1ccc(Cn2cncc2CC(=O)NC2CCN(c3cccc4ccc(O)cc34)C2=O)cc1F
InChIInChI=1S/C27H22FN5O3/c28-23-10-17(4-5-19(23)13-29)15-32-16-30-14-20(32)11-26(35)31-24-8-9-33(27(24)36)25-3-1-2-18-6-7-21(34)12-22(18)25/h1-7,10,12,14,16,24,34H,8-9,11,15H2,(H,31,35)
InChIKeyLCFCFGVJUPRICE-UHFFFAOYSA-N
XLogP3.27
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide 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 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide (CID 18433547) is 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide is N#Cc1ccc(Cn2cncc2CC(=O)NC2CCN(c3cccc4ccc(O)cc34)C2=O)cc1F.
What is the InChIKey of 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is LCFCFGVJUPRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O3/c28-23-10-17(4-5-19(23)13-29)15-32-16-30-14-20(32)11-26(35)31-24-8-9-33(27(24)36)25-3-1-2-18-6-7-21(34)12-22(18)25/h1-7,10,12,14,16,24,34H,8-9,11,15H2,(H,31,35).
What are the key properties of 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide?
2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 483.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]-N-[1-(7-hydroxynaphthalen-1-yl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 18433547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).