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

C18H23FN4O2 — CID 75465898

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCCNC(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H23FN4O2/c1-11(2)5-4-8-20-18(25)12-9-15(24)23(10-12)17-16-13(19)6-3-7-14(16)21-22-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyYUJZSZUGQVGXTM-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.61
Rot. Bonds6

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

1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75465898) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75465898
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCCNC(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H23FN4O2/c1-11(2)5-4-8-20-18(25)12-9-15(24)23(10-12)17-16-13(19)6-3-7-14(16)21-22-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyYUJZSZUGQVGXTM-UHFFFAOYSA-N
XLogP2.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465615
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97264302
(3S)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97263699
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97263867
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 71827888
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784
(3R)-N-(3,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754349
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75356859
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 99758678
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide (CID 75465898) is 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCCNC(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YUJZSZUGQVGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-11(2)5-4-8-20-18(25)12-9-15(24)23(10-12)17-16-13(19)6-3-7-14(16)21-22-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.61, 6 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-methylpentyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75465898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).