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

C19H17FN4O2 — CID 90489272

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C19H17FN4O2/c1-11-5-7-13(8-6-11)21-19(26)12-9-16(25)24(10-12)18-17-14(20)3-2-4-15(17)22-23-18/h2-8,12H,9-10H2,1H3,(H,21,26)(H,22,23)
InChIKeyTWTITKNJYUUGOD-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.00
Rot. Bonds3

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

1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489272) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489272
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C19H17FN4O2/c1-11-5-7-13(8-6-11)21-19(26)12-9-16(25)24(10-12)18-17-14(20)3-2-4-15(17)22-23-18/h2-8,12H,9-10H2,1H3,(H,21,26)(H,22,23)
InChIKeyTWTITKNJYUUGOD-UHFFFAOYSA-N
XLogP3.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 90489272) is 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TWTITKNJYUUGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-11-5-7-13(8-6-11)21-19(26)12-9-16(25)24(10-12)18-17-14(20)3-2-4-15(17)22-23-18/h2-8,12H,9-10H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).