N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide

C18H21FN4O3 — CID 122684763

IUPACN-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C18H21FN4O3/c1-12(24)20-5-3-13-11-21-16-10-15(19)17(9-14(13)16)25-7-8-26-18-4-6-23(2)22-18/h4,6,9-11,21H,3,5,7-8H2,1-2H3,(H,20,24)
InChIKeyKBKYKKOVOAPGJL-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.18
Rot. Bonds8

About N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide

N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 122684763) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
PubChem CID122684763
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C18H21FN4O3/c1-12(24)20-5-3-13-11-21-16-10-15(19)17(9-14(13)16)25-7-8-26-18-4-6-23(2)22-18/h4,6,9-11,21H,3,5,7-8H2,1-2H3,(H,20,24)
InChIKeyKBKYKKOVOAPGJL-UHFFFAOYSA-N
XLogP2.18
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Melatonin
CID 896
N-Propionyl-5-methoxytryptamine
CID 395810
N-Acetyl-5-benzyloxytryptamine
CID 563605
beta-Methylmelatonin
CID 11630146
Efppea
CID 24954989
Azd-2906
CID 25013811
2,2,2-Trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 594980
P 10358
CID 3075612
5-Heat
CID 10849065
(2s)-N-[4-[1-Methyl-3-(1-Methylpyrazol-4-Yl)indol-5-Yl]oxyphenyl]pyrrolidine-2-Carboxamide
CID 91668557
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide (CID 122684763) is N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12.
What is the InChIKey of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is KBKYKKOVOAPGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-12(24)20-5-3-13-11-21-16-10-15(19)17(9-14(13)16)25-7-8-26-18-4-6-23(2)22-18/h4,6,9-11,21H,3,5,7-8H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 122684763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).