N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H19FN4O2 — CID 90489266

IUPACN-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c(C)c1
InChIInChI=1S/C20H19FN4O2/c1-11-6-7-15(12(2)8-11)22-20(27)13-9-17(26)25(10-13)19-18-14(21)4-3-5-16(18)23-24-19/h3-8,13H,9-10H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyCEDSVCZADFNBFG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.31
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489266) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489266
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c(C)c1
InChIInChI=1S/C20H19FN4O2/c1-11-6-7-15(12(2)8-11)22-20(27)13-9-17(26)25(10-13)19-18-14(21)4-3-5-16(18)23-24-19/h3-8,13H,9-10H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyCEDSVCZADFNBFG-UHFFFAOYSA-N
XLogP3.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489266) is N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CEDSVCZADFNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-11-6-7-15(12(2)8-11)22-20(27)13-9-17(26)25(10-13)19-18-14(21)4-3-5-16(18)23-24-19/h3-8,13H,9-10H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).