N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H19FN4O2 — CID 71703437

IUPACN-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C20H19FN4O2/c1-24(11-13-6-3-2-4-7-13)20(27)14-10-17(26)25(12-14)19-18-15(21)8-5-9-16(18)22-23-19/h2-9,14H,10-12H2,1H3,(H,22,23)
InChIKeyHORWJVZSDLKMRO-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.71
Rot. Bonds4

About N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 71703437) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID71703437
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C20H19FN4O2/c1-24(11-13-6-3-2-4-7-13)20(27)14-10-17(26)25(12-14)19-18-15(21)8-5-9-16(18)22-23-19/h2-9,14H,10-12H2,1H3,(H,22,23)
InChIKeyHORWJVZSDLKMRO-UHFFFAOYSA-N
XLogP2.71
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-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

Related Compounds

N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
N-butyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465615
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489297
(3S)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97263699
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 75465898
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97264302
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97263867
(3R)-N-(3,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 71703437) is N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HORWJVZSDLKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-24(11-13-6-3-2-4-7-13)20(27)14-10-17(26)25(12-14)19-18-15(21)8-5-9-16(18)22-23-19/h2-9,14H,10-12H2,1H3,(H,22,23).
What are the key properties of N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71703437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).