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

C20H25FN4O3 — CID 122698104

IUPACN-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C20H25FN4O3/c1-4-19(26)22-7-5-14-13(2)23-17-12-16(21)18(11-15(14)17)27-9-10-28-20-6-8-25(3)24-20/h6,8,11-12,23H,4-5,7,9-10H2,1-3H3,(H,22,26)
InChIKeyDTUPXNIFMHQCCX-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.88
Rot. Bonds9

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

N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide (PubChem CID 122698104) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide
PubChem CID122698104
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1c(C)[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C20H25FN4O3/c1-4-19(26)22-7-5-14-13(2)23-17-12-16(21)18(11-15(14)17)27-9-10-28-20-6-8-25(3)24-20/h6,8,11-12,23H,4-5,7,9-10H2,1-3H3,(H,22,26)
InChIKeyDTUPXNIFMHQCCX-UHFFFAOYSA-N
XLogP2.88
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-5-benzyloxytryptamine
CID 563605
Efppea
CID 24954989
Azd-2906
CID 25013811
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-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-ethyl}-acetamide
CID 11797158
N-[2-(4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
CID 24954990
N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24954991
N-{2-[2-(trifluoromethyl)-8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridin-1-yl]ethyl}acetamide
CID 24954992
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 25013490

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
The IUPAC name of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide (CID 122698104) is N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide is CCC(=O)NCCc1c(C)[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12.
What is the InChIKey of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
The InChIKey is DTUPXNIFMHQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-4-19(26)22-7-5-14-13(2)23-17-12-16(21)18(11-15(14)17)27-9-10-28-20-6-8-25(3)24-20/h6,8,11-12,23H,4-5,7,9-10H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide?
N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide has a molecular weight of 388.44 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]propanamide is sourced from PubChem (CID 122698104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).