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

C20H19FN4O2 — CID 90489268

IUPACN-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C20H19FN4O2/c1-2-12-6-8-14(9-7-12)22-20(27)13-10-17(26)25(11-13)19-18-15(21)4-3-5-16(18)23-24-19/h3-9,13H,2,10-11H2,1H3,(H,22,27)(H,23,24)
InChIKeyPXYVASSLTSEMEE-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.26
Rot. Bonds4

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

N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489268) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489268
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C20H19FN4O2/c1-2-12-6-8-14(9-7-12)22-20(27)13-10-17(26)25(11-13)19-18-15(21)4-3-5-16(18)23-24-19/h3-9,13H,2,10-11H2,1H3,(H,22,27)(H,23,24)
InChIKeyPXYVASSLTSEMEE-UHFFFAOYSA-N
XLogP3.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489268) is N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PXYVASSLTSEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-12-6-8-14(9-7-12)22-20(27)13-10-17(26)25(11-13)19-18-15(21)4-3-5-16(18)23-24-19/h3-9,13H,2,10-11H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).